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Shanghai Sochem International Co., Ltd.

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Profile: Shanghai Sochem International Co., Ltd. is a manufacture of dyestuffs, pharmaceutical intermediates, pesticide intermediates, dyestuff intermediates, pigments and speciality chemicals. Our agrochemical & intermediates include 2,4-D isooctyl ester, aluminium phosphide, benzyl chloroformate, bromopropylate, campholenic aldehyde and copper acetate. Our speciality chemicals are photoinitiators, UV absorbers, water treatment chemicals, flame retardants and biochemicals.

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• 1-Bromo-3-chloro-5,5-dimethyl Hydantoin
IUPAC Name: 1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione | CAS Registry Number: 16079-88-2
Synonyms: Agribrom, di-Halo, Slimicide 78P, Slimicide C 77P, Halogene T 30, Caswell No. 114A, Ambap3442, EINECS 240-230-0, EPA Pesticide Chemical Code 006315, CID61828, 1-Bromo-3-chloro-5,5-dimethylhydantoin, ZINC01850613, N-Bromo-N'-chloro-5,5-dimethylhydantoin, Hydantoin, 1-bromo-3-chloro-5,5-dimethyl-, LS-76013, 1-Bromo-3-chloro-5,5-dimethyl hydantoin, 1-Bromo-3-chloro-5,5-dimethyl-2,4-imidazolidinedione, 2,4-Imidazolidinedione, 1-bromo-3-chloro-5,5-dimethyl-, 1-BROMO-3-CHLORO-5,5-DIMETHYLIMIDAZOLIDINE-2,4-DIONE

Molecular Formula: C5H6BrClN2O2Molecular Weight: 241.470340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PIEXCQIOSMOEOU-UHFFFAOYSA-N

• 2,6-Dichloro Benzoxazole
IUPAC Name: 2,6-dichloro-1,3-benzoxazole | CAS Registry Number: 3621-82-7
Synonyms: 2,6-Dichlorobenzoxazole, EINECS 222-818-9, CID77175

Molecular Formula: C7H3Cl2NOMolecular Weight: 188.010820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LVVQTPZQNHQLOM-UHFFFAOYSA-N

• 2-Methyl-3-Acetoxybenzoic Acid
IUPAC Name: 3-acetyloxy-2-methylbenzoic acid | CAS Registry Number: 168899-58-9
Synonyms: 3-Acetoxy-2-methylbenzoic acid, 2-Methyl-3-acetoxybenzoic acid, 3-acetyloxy-2-methylbenzoic acid, SBB063332, AMBA, AC1MXZKZ, ACMC-209dz2, AC1Q1L9V, SureCN6178884, KSC495O2N, 495255_ALDRICH, Jsp003420, CTK3J5726, 3-Acetoxy-2-Methyl-Benzoic Acid, MolPort-001-794-616, AC-594, ANW-22380, 3-(Acetyloxy)-2-methyl-benzoic Acid, AKOS015888713, AB07799

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LHVJUPHCLWIPLZ-UHFFFAOYSA-N

• 5-Cyanophthalide
IUPAC Name: 1-oxo-3H-2-benzofuran-5-carbonitrile | CAS Registry Number: 82104-74-3
Synonyms: 5-Cyano-3H-isobenzofuranone, 647195_ALDRICH, ZINC00337934, EINECS 279-900-2, CID821218, TL8005440, 1,3-Dihydro-1-oxo-5-isobenzofurancarbonitrile, 1,3-Dihydro-1-oxoisobenzofuran-5-carbonitrile, 1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile, AR-011/40257489

Molecular Formula: C9H5NO2Molecular Weight: 159.141500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XEEGWTLAFIZLSF-UHFFFAOYSA-N

• 1,1-Dimethylpiperidinium chloride
IUPAC Name: 1,1-dimethylpiperidin-1-ium chloride | CAS Registry Number: 24307-26-4
Synonyms: Mepiquat chloride, Pix Ultra, Caswell No. 380AB, Bas85559X, Methylpiperidine hydrochloride, BAS 083W, HSDB 7059, N,N-Dimethylpiperidinium chloride, BAS-083, BAS 08301W, BAS-08300W, N,N-Dimethyl-piperidinium chloride, BAS 08305 W, BAS 08306 W, BAS 08307 W, EINECS 246-147-6, 1,1-DIMETHYLPIPERIDINIUM CHLORIDE, EPA Pesticide Chemical Code 109101, Piperidinium, 1,1-dimethyl-, chloride, LS-116499

Molecular Formula: C7H16ClNMolecular Weight: 149.661640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VHOVSQVSAAQANU-UHFFFAOYSA-M

• 2-(2'-Hydroxy-3',5'-di-tert-butylphenyl)-5-chlorobenzotriazole
IUPAC Name: 2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol | CAS Registry Number: 3864-99-1
Synonyms: CBDivE_008145, 423327_ALDRICH, EINECS 223-383-8, ZINC02169630, CID77470, STK051072, LS-104191, 2,4-Di-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol, Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-, 2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol, 2-(3',5'-Di-tert-butyl-2'-hydroxyphenyl)-5-chloro-2H-benzotriazole, 106085-69-2, 114625-87-5, 153613-74-2, 188025-33-4, 189456-66-4, 60712-40-5

Molecular Formula: C20H24ClN3OMolecular Weight: 357.877060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UWSMKYBKUPAEJQ-UHFFFAOYSA-N

• 2-Isopropyl-4-(methylaminomethyl)thiazole
IUPAC Name: N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine | CAS Registry Number: 154212-60-9
Synonyms: 2-isopropyl-4-(methylaminomethyl)thiazole, SureCN902615, Jsp003006, CTK6I5498, N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine, MolPort-003-178-878, ANW-45087, AKOS010300418, AG-A-43413, AM84496, MCULE-2512608170, AK-28815, KB-24753, FT-0643514, ST51051204, X4182, 1-(2-isopropylthiazol-4-yl)-N-methyl methanamine, A809508, I05-0064, N-methyl-1-(2-propan-2-yl-4-thiazolyl)methanamine

Molecular Formula: C8H14N2SMolecular Weight: 170.275160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HWSFABGWAXURNG-UHFFFAOYSA-N

• (S)-N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylthio)-2-hydroxy-2-methylpropanamide
IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide | CAS Registry Number: 90356-78-8
Synonyms: N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide, N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)thio)-2-hydroxy-2-methylpropanamide, H-(4-Cyano-3-trifluoromthylphenyl)-3-(4-flourophenylsulfanyl)-2-hydroxy-2-methylpropionamide, Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-, n-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)thio)-2-hydroxy-2-methylpropionamide, N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropanamide, Bicalutamide Sulfide, SureCN899788, KSC486M2N, AGN-PC-0006AA, UNII-135IE10O4Y, CHEMBL171543, CTK3I6626, MolPort-003-987-412, ANW-46053, AKOS015836118, AC-17498, AK-78897, KB-55905, N767

Molecular Formula: C18H14F4N2O2SMolecular Weight: 398.374573 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: GCGWWKKSGPETMI-UHFFFAOYSA-N

• 1,2,2,6,6-Pentamethyl-4-Piperidinol
IUPAC Name: 1,2,2,6,6-pentamethylpiperidin-4-ol | CAS Registry Number: 2403-89-6
Synonyms: 03225_FLUKA, ZERO/006223, NSC364075, CID75472, EINECS 219-292-8, NSC 364075, 1,2,2,6,6-Pentamethyl-4-piperidinol, 1,2,2,6,6-Pentamethylpiperidin-4-ol, 4-Piperidinol, 1,2,2,6,6-pentamethyl-, 1,2,2,6,6-Pentamethyl-4-hydroxypiperidine, 4-Hydroxy-1,2,2,6,6-pentamethylpiperidine

Molecular Formula: C10H21NOMolecular Weight: 171.279840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NWHNXXMYEICZAT-UHFFFAOYSA-N

• (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
IUPAC Name: [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol | CAS Registry Number: 105812-81-5
Synonyms: ZINC02529787, CID7016838, TL8000217, (3S,4R)-4-(4'-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

Molecular Formula: C13H19FNO+Molecular Weight: 224.294463 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CXRHUYYZISIIMT-AAEUAGOBSA-O

• 2,3,5-Trichloropyridine
IUPAC Name: 2,3,5-trichloropyridine | CAS Registry Number: 16063-70-0
Synonyms: 2,3,5-TRICHLOROPYRIDINE, Pyridine, 2,3,5-trichloro-, ZERO/001504, 384275_ALDRICH, TPC-I005, CID27666, BRN 0119384, ZINC00084933, T250, LS-132112, EU-0067746, 5-20-05-00420 (Beilstein Handbook Reference), AF-834/25001439, InChI=1/C5H2Cl3N/c6-3-1-4(7)5(8)9-2-3/h1-2

Molecular Formula: C5H2Cl3NMolecular Weight: 182.435080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CNLIIAKAAMFCJG-UHFFFAOYSA-N

• 4-Amino-3,5-dichloro-2,6-difluoropyridine
IUPAC Name: 3,5-dichloro-2,6-difluoropyridin-4-amine | CAS Registry Number: 2840-00-8
Synonyms: ZINC01840989, CID76089, EINECS 220-630-1, SBB000376, 3,5-Dichloro-2,6-difluoropyridin-4-amine, 4-Pyridinamine, 3,5-dichloro-2,6-difluoro-

Molecular Formula: C5H2Cl2F2N2Molecular Weight: 198.985586 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BEGINUFBBRTGBH-UHFFFAOYSA-N

• 5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
IUPAC Name: 5-acetamido-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide | CAS Registry Number: 31127-80-7
Synonyms: Iohexol Intermediate, 5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, 5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, 5-acetylamino-N,N'-bis-(2,3-dihydroxy-propyl)-2,4,6-triiodo-isophthalamide, 5-Acetamido-N,N -bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, HYDROLYSATE, PubChem18658, ACMC-1AFS9, Jsp005829, CTK8B1435, MolPort-003-844-389, ANW-27037, AKOS015900494, AB43488, AC-2654, AG-F-03270, AK-78748, KB-73047, Q962, FT-0638951

Molecular Formula: C16H20I3N3O7Molecular Weight: 747.059310 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 7

InChIKey: BHCBLTRDEYPMFZ-UHFFFAOYSA-N

• 4-Amino-2-trifluoromethylbenzonitrile
IUPAC Name: 4-amino-2-(trifluoromethyl)benzonitrile | CAS Registry Number: 654-70-6
Synonyms: 5-Amino-2-cyanobenzotrifluoride, 631752_ALDRICH, 3-Amino-6-cyanobenzotrifluoride, 4-Cyano-3-trifluoromethylaniline, 4-Amino-2-(trifluoromethyl)benzonitrile, ZINC00162833, 4-cyano-3-(trifluoromethyl)aniline, CID522170, A115, ST5408134, TL8004650

Molecular Formula: C8H5F3N2Molecular Weight: 186.133910 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: PMDYLCUKSLBUHO-UHFFFAOYSA-N

• 6-Mercaptopurine
IUPAC Name: 3,7-dihydropurine-6-thione | CAS Registry Number: 50-44-2
Synonyms: mercaptopurine, Mercapurin, Leupurin, Mercaleukin, Purinethiol, Purinethol, Leukerin, 6-Mercaptopurin, Ismipur, 6-Thioxopurine, 6-Purinethiol, 6-Thiopurine, Mern, Mercaleukim, Purimethol, Leukeran, Puri-Nethol, 6-Thiohypoxanthine, Purine-6-thiol, 3H-Purine-6-thiol

Molecular Formula: C5H4N4SMolecular Weight: 152.177060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GLVAUDGFNGKCSF-UHFFFAOYSA-N

• 3-Amino-4-Cyanopyrazole
IUPAC Name: 5-amino-1H-pyrazole-4-carbonitrile | CAS Registry Number: 16617-46-2
Synonyms: 3-Amino-4-cyanopyrazole, 5-Amino-4-cyanopyrazole, 3-Amino-4-pyrazolecarbonitrile, 3-Aminopyrazole-4-nitrile, 3-Aminopyrazole-4-carbonitrile, 5-Aminopyrazole-4-carbonitrile, 153044_ALDRICH, Pyrazole-4-carbonitrile, 3-amino-, 5-amino-1H-pyrazole-4-carbonitrile, ZERO/001752, 3-Amino-1H-pyrazole-4-carbonitrile, BB_SC-3265, 1H-Pyrazole-4-carbonitrile, 3-amino-, NSC44932, EINECS 240-665-6, NSC 44932, ZINC01069844, TL8001275, AE-473/31199025, 103013-86-1

Molecular Formula: C4H4N4Molecular Weight: 108.101360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FFNKBQRKZRMYCL-UHFFFAOYSA-N

• 3-Bromomethyl-1,2-Benzisoxazole
IUPAC Name: 3-(bromomethyl)-1,2-benzoxazole | CAS Registry Number: 37924-85-9
Synonyms: 3-(Bromomethyl)-1,2-benzisoxazole, 3-(bromomethyl)-1,2-benzoxazole, AC1MRVC9, 3-Bromomethylbenzisoxazole, 3-bromomethyl benzisoxazole, SureCN692195, 3-bromoethylbenzo[o]isoxazole, 3-bromomethyl-benzo[d]isoxazole, Jsp006674, CTK4H9022, ACN-S001694, AC-178, ZINC02509747, 1,2-Benzisoxazole,3-(bromomethyl)-, AKOS015936127, AG-F-33478, AB1004765, KB-178449, FT-0663771, A-2489

Molecular Formula: C8H6BrNOMolecular Weight: 212.043340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MAIKTETULSZRED-UHFFFAOYSA-N

• 2-Amino-5-trifluoromethylpyridine
IUPAC Name: 5-(trifluoromethyl)pyridin-2-amine | CAS Registry Number: 74784-70-6
Synonyms: TPC-PY067, 684716_ALDRICH, 2-Amino-5-(trifluoromethyl)pyridine, 2-Amino-5-Trifluoromethyl Pyridine, SBB005500, A201, TL8005140, 3S105710

Molecular Formula: C6H5F3N2Molecular Weight: 162.112510 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: RSGVKIIEIXOMPY-UHFFFAOYSA-N

• 1-Cyclohexylethanol
IUPAC Name: 1-cyclohexylethanol | CAS Registry Number: 1193-81-3
Synonyms: Methylcyclohexylcarbinol, Cyclohexylmethylcarbinol, 1-Cyclohexyl-1-ethanol, Ethanol, 1-cyclohexyl-, Methanol, cyclohexylmethyl-, (1-Hydroxyethyl)cyclohexane, alpha-Methylcyclohexanemethanol, NSC9476, 110434_ALDRICH, MolPort-001-787-148, NSC44898, CID137829, Cyclohexanemethanol, .alpha.-methyl-, BBV-27118982, Cyclohexanemethanol, alpha-methyl-, (S)-, Cyclohexanemethanol, .alpha.-methyl-, (S)-, I14-1786, 3113-98-2

Molecular Formula: C8H16OMolecular Weight: 128.212040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JMSUNAQVHOHLMX-UHFFFAOYSA-N

• (r)-2-hydroxy-4-phenylbutanoic Acid
IUPAC Name: (2R)-2-hydroxy-4-phenylbutanoic acid | CAS Registry Number: 29678-81-7
Synonyms: 420085_ALDRICH, 2-Hydroxy-4-phenylbutyric acid, (R)-2-Hydroxy-4-phenylbutyric acid, TL8002311, N-1121

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JNJCEALGCZSIGB-SECBINFHSA-N

• 2-Naphthylamine-4,8-Disulphonic Acid (C-Acid)
IUPAC Name: 3-aminonaphthalene-1,5-disulfonic acid | CAS Registry Number: 131-27-1
Synonyms: C acid, Acid IV, Kyselina C, Kyselina C [Czech], 4,8-Disulfo-2-naphthalamine, beta-Naphthylaminedisulfonic acid, 2-Naphthylamine-4,8-disulfonic acid, 3-Amino-1,5-naphthalenedisulfonic acid, Aminonaphthalene disulfonic acid, NSC 7558, EINECS 205-020-5, 2-Amino-4,8-naphthalenedisulfonic acid, 7-Amino-1,5-naphthalenedisulfonic acid, NSC7558, WLN: L66J BSWQ DZ GSWQ, AIDS000371, .beta.-Naphthylaminedisulfonic acid, 1,5-Naphthalenedisulfonic acid, 3-amino-, AIDS-000371, beta-Naphthylamine-4,8-disulfonic acid

Molecular Formula: C10H9NO6S2Molecular Weight: 303.311560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: MTJGVAJYTOXFJH-UHFFFAOYSA-N

• 4,4,4-Trifluoro-1 (4-Methylphenyl)-Butane-1,3-Dione
IUPAC Name: 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione | CAS Registry Number: 720-94-5
Synonyms: TOS-BB-0661, ALBB-006417, STK298732, TL8005050, 1,3-Butanedione, 4,4,4-trifluoro-1-p-tolyl-, 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione, l-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione, Benzene, 1-(3-trifluoromethyl-3-hydroxypropenoyl)-4-methyl-

Molecular Formula: C11H9F3O2Molecular Weight: 230.183170 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: WRZMHTIRFOFFPY-UHFFFAOYSA-N

• 4-Chloro-3,5-Dinitrobenzotrifluoride
IUPAC Name: 2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene | CAS Registry Number: 393-75-9
Synonyms: CDNT, DNT-Cl, CCRIS 2818, NCIOpen2_005439, HSDB 4262, 197017_ALDRICH, 3,5-Dinitro-4-chlorobenzotrifluoride, 4-CHLORO-3,5-DINITROBENZOTRIFLUORIDE, EINECS 206-889-3, TOS-BB-0069, NSC 88274, 2,6-Dinitro-4-trifluoromethylchlorobenzene, 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene, NSC88274, Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)-, BRN 1220937, LS-108, Trifluoromethyl-3,5-dinitro-4-chlorobenzene, ZINC02022399, Benzotrifluoride, 4-chloro-3,5-dinitro-

Molecular Formula: C7H2ClF3N2O4Molecular Weight: 270.549990 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: HFHAVERNVFNSHL-UHFFFAOYSA-N

• 2-[4-(2,3-EPOXYPROPOXY)PHENYL]ACETAMIDE
IUPAC Name: 2-[4-(oxiran-2-ylmethoxy)phenyl]acetamide | CAS Registry Number: 29122-69-8
Synonyms: MolPort-002-886-037, EINECS 249-452-2, CID119857, ZINC00281702, Benzeneacetamide, 4-(oxiranylmethoxy)-, MS-0342, 4-(2',3'-Epoxypropoxy)phenylacetamide, 2-(4-(2,3-Epoxypropoxy)phenyl)acetamide, LS-191068

Molecular Formula: C11H13NO3Molecular Weight: 207.225820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SOGKXLVYZZXFTN-UHFFFAOYSA-N

• 2,4,6-Tribromophenol
IUPAC Name: 2,4,6-tribromophenol | CAS Registry Number: 118-79-6
Synonyms: 2,4,6-tribromophenol, Tribromophenol, Bromkal pur 3, Bromol, Xeroform, Flammex 3BP, Phenol, 2,4,6-tribromo-, 1e5a, C6H3Br3O, BISMUTH TRIBROMOPHENATE, WLN: QR BE DE FE, CCRIS 1658, TA 10, HSDB 5584, MLS002152858, 137715_ALDRICH, 36918_RIEDEL, 442304_SUPELCO, NSC 2136, 90730_FLUKA

Molecular Formula: C6H3Br3OMolecular Weight: 330.799420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BSWWXRFVMJHFBN-UHFFFAOYSA-N

• 2-Hydroxy-2-Methyl-Phenyl-Propane-1-One
IUPAC Name: 2-hydroxy-2-methyl-1-phenylpropan-1-one | CAS Registry Number: 7473-98-5
Synonyms: HMPP, 2-Hydroxy-2-methylpropiophenone, 405655_ALDRICH, EINECS 231-272-0, 1-Phenyl-2-hydroxy-2-methylpropan-1-one, NSC 401744, NSC401744, 1-Propanone, 2-hydroxy-2-methyl-1-phenyl-, 2-Hydroxy-2-methyl-1-phenyl-1-propanone, LS-123055, TL8005139, 126038-32-2, 71833-40-4, 75718-48-8

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XMLYCEVDHLAQEL-UHFFFAOYSA-N

• 3-(4-Cumyl)-1,1-Dimethylurea
IUPAC Name: 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea | CAS Registry Number: 34123-59-6
Synonyms: Graminon, Belgran, Arelon, Tolkan, ISOPROTURON, Nocilon, Arelon R, Alon, Zodiac TX, IPU Stefes, isoproturon-50, IP-Flo, Hytane 500L, Isoproturon solution, Isoproturon [BSI:ISO], PS2000_SUPELCO, 3-p-Cumenyl-1,1-dimethylurea, DPX 6774, 36137_RIEDEL, 45867_RIEDEL

Molecular Formula: C12H18N2OMolecular Weight: 206.284120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PUIYMUZLKQOUOZ-UHFFFAOYSA-N

• 2,2'-(5-Methyl-1,3-phenylene)di(2-methylpropanenitrile)
IUPAC Name: 2-[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile | CAS Registry Number: 120511-72-0
Synonyms: 3,5-Bis(2-cyanoprop-2-yl)toluene, Pentamethyl-1,3-benzenediacetonitrile, 2,2'-(5-Methyl-1,3-phenylene)bis(2-methylpropanenitrile), 1,3-Benzenediacetonitrile,a1,a1,a3,a3,5-pentamethyl-, 2,2-(5-Methyl-1-,3-phenylene)di(2-methylpropiononitrile), PubChem14361, ACMC-1C6FE, AGN-PC-00R8FQ, SureCN1172829, CTK4B1911, MolPort-003-985-824, ANW-46631, SBB063217, ZINC21985858, AKOS005257888, AC-6803, AG-D-44789, 3,5-Bis(2-cyano-2-methylethyl)toluene, AK-55794, EN001317

Molecular Formula: C15H18N2Molecular Weight: 226.316820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SJECEXNMZXMXNE-UHFFFAOYSA-N

• 3,5-Bis(cyanomethyl)toluene
IUPAC Name: 2-[3-(cyanomethyl)-5-methylphenyl]acetonitrile | CAS Registry Number: 120511-74-2
Synonyms: 5-Methyl-1,3-benzenediacetonitrile, 3,5-bis-(Cyanomethyl)toluene, 1,3-Benzenedicarbonitrile,2,5-dimethyl-, [3-(cyanomethyl)-5-methylphenyl]acetonitrile, 2,2'-(5-Methyl-1,3-phenylene)diacetonitrile, 107170-81-0, PubChem19672, ACMC-20ah11, SureCN2262582, BEN019, CTK4A5037, 5-Methyl-1,3-diacetonitrilbezene, MolPort-003-848-738, 5-Methylbenzene-1,3-diacetonitrile, ANW-72995, SBB068769, ZINC21297549, 1,3-Benzenediacetonitrile, 5-methyl-, AKOS006285190, AC-6805

Molecular Formula: C11H10N2Molecular Weight: 170.210500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XJCXEUYJQHPEAE-UHFFFAOYSA-N

• 1,4,5,8-Naphthalenetetracarboxylic acid
IUPAC Name: naphthalene-1,4,5,8-tetracarboxylic acid | CAS Registry Number: 128-97-2
Synonyms: Tetra acid, NSC66207, 1,4,5,8-Tetracarboxynaphthalene, NCIStruc1_001520, NCIStruc2_001460, 1,4,5,8-NAPHTHALENETETRACARBOXYLIC ACID, EINECS 204-924-7, NSC 66207, AIDS092403, AIDS-092403, CID31422, NCI66207, BRN 0436046, NCGC00013765, NSC-66207, NCGC00096875-01, LS-94954, NCI60_021524, Naphthalene-1,4,5,8-tetracarboxylic acid, ST5408873

Molecular Formula: C14H8O8Molecular Weight: 304.208520 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: OLAPPGSPBNVTRF-UHFFFAOYSA-N

• 2-Methyl-4'-(methylthio)-2-Morpholinopropiophenone
IUPAC Name: 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one | CAS Registry Number: 71868-10-5
Synonyms: MLS000084908, 405639_ALDRICH, CID92387, SMR000019254, ST5319490, EU-0035716, 2-Methyl-4'-(methylthio)-2-morpholinopropiophenone, 2-Methyl-1-[4-(methylsulfanyl)phenyl]-2-(4-morpholinyl)-1-propanone, 2-methyl-1-[4-(methylsulfanyl)phenyl]-2-morpholin-4-ylpropan-1-one, 2-methyl-1-[4-(methylthio)phenyl]-2-morpholin-4-ylpropan-1-one, 1-Propanone, 2-methyl-1-(4-(methylthio)phenyl)-2-(4-morpholinyl)-, 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-4-morpholinyl)-, 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-, 123584-61-2, 125732-34-5

Molecular Formula: C15H21NO2SMolecular Weight: 279.397740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LWRBVKNFOYUCNP-UHFFFAOYSA-N

• 4-N,N-Diethyl-2-methyl-p-phenylenediamine monohydrochloride
IUPAC Name: 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine hydrochloride | CAS Registry Number: 2051-79-8
Synonyms: EINECS 246-484-9, SBB003401, 4-Diethylamino-o-toluidine hydrochloride, 2-AMINO-5-DIETHYLAMINOTOLUENE HCl, N4,N4-Diethyl-2-methylbenzene-1,4-diamine hydrochloride, N4,N4-Diethyl-2-methyl-1,4-phenylenediammonium dichloride, 1,4-Benzenediamine, N4,N4-diethyl-2-methyl-, dihydrochloride, 1,4-Benzenediamine, N4,N4-diethyl-2-methyl-, monohydrochloride, 148-71-0, 24828-38-4, 54749-07-4

Molecular Formula: C11H19ClN2Molecular Weight: 214.734960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: MPLZNPZPPXERDA-UHFFFAOYSA-N

• 4-Hydroxy-3-nitroquinoline
IUPAC Name: 3-nitro-1H-quinolin-4-one | CAS Registry Number: 50332-66-6
Synonyms: 3-Nitro-4-quinolinol, Maybridge1_006505, 4-Quinolinol, 3-nitro-, Oprea1_311502, Oprea1_563997, 3-nitroquinolin-4(1H)-one, MLS000586691, ZERO/003102, NSC246074, NSC299179, RH 00840, SMR000208070, LS-142568, TL8003336, VC8137500

Molecular Formula: C9H6N2O3Molecular Weight: 190.155540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZWISCKSGNCMAQO-UHFFFAOYSA-N

• 5,6-Dimethoxy-2-(piperidin-4-Yl)methylene-Indan-1-One
IUPAC Name: 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one | CAS Registry Number: 120014-30-4
Synonyms: 5,6-Dimethoxy-2-piperidin-4-ylmethyl-indan-1-one, 5,6-dimethoxy-2-(piperidin-4-yl)methylindan-1-one, 5,6-Dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one, 5,6-dimethoxy-2-(piperidin-4-yl)methyl-indan-1-one, UNII-D84X9FAD1Y, SureCN1114944, CHEMBL339630, CHEBI:308602, MolPort-005-932-598, ANW-45501, AKOS015919479, AG-A-31585, AK-24696, BR-24696, 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one

Molecular Formula: C17H23NO3Molecular Weight: 289.369420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PGBZORAISITZTF-UHFFFAOYSA-N

• 4-(2,3-Epoxypropoxy)carbazole
IUPAC Name: 4-(oxiran-2-ylmethoxy)-9H-carbazole | CAS Registry Number: 51997-51-4
Synonyms: 4-Glycidyloxycarbazole, 4-Epoxypropanoxycarbazole, 4-(oxiran-2-ylmethoxy)-9H-carbazole, 4-(2,3-Epoxypropoxy)-carbazole, 4-(2-oxiranylmethoxy)-9H-carbazole, (S)-4-(2,3-Epoxypropoxy)-9H-carbazole, 9H-Carbazole, 4-(oxiranylmethoxy)-, (R)-, PubChem9367, ACMC-20epf7, ACMC-209kx8, 4-Oxiranylmethoxy-carbazole, AC1NN40L, UNII-VX4N43V2E1, KSC496E2T, 4-Oxiranylmethoxy-9H-carbazole, AGN-PC-00628C, CTK3J6229, MolPort-003-847-071, 4-(2,3-epoxypropaneoxy)carbazole, 9H-Carbazole, 4-(oxiranylmethoxy)-

Molecular Formula: C15H13NO2Molecular Weight: 239.269220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SVWKIGRDISDRLO-UHFFFAOYSA-N

• 2,6-Dimethylbenzyl chloride
IUPAC Name: 2-(chloromethyl)-1,3-dimethylbenzene | CAS Registry Number: 5402-60-8
Synonyms: NSC5166, NSC97101, CID221154

Molecular Formula: C9H11ClMolecular Weight: 154.636640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: HPVRFWQMBYLJRL-UHFFFAOYSA-N

• [(Diphenylmethyl)thio]acetamide
IUPAC Name: 2-benzhydrylsulfanylacetamide | CAS Registry Number: 68524-30-1
Synonyms: 2-[(DIPHENYLMETHYL)THIO]ACETAMIDE, Diphenylmethyl Thioacetamide, 2-Benzhydrylsulfanyl-acetamide, 2-[(Diphenylmethyl)thio]-acetamide, AG-G-64065, PubChem19513, SureCN1537233, 2-(Benzhydrylthio)acetamide;, KSC493O9F, ACE003, 2-(Benzhydrylsulphanyl)acetamide, CTK3J3792, MolPort-005-935-534, 2-(diphenylmethyl)sulfanylethanamide, RW2765, ZINC00009766, 2-[(diphenylmethyl)sulfanyl]acetamide, Acetamide, 2-[(diphenylmethyl)thio]-, AKOS015888234, 2-[(Diphenylmethyl)sulphanyl]acetamide

Molecular Formula: C15H15NOSMolecular Weight: 257.350700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HCRQRIFRHGPWBH-UHFFFAOYSA-N

• 4-Choromethyl-5-methyl-2-oxo-1,3-dioxole
IUPAC Name: 4-(chloromethyl)-5-methyl-1,3-dioxol-2-one | CAS Registry Number: 80841-78-7
Synonyms: 4-Chloromethyl-5-methyl-1,3-dioxol-2-one, 4-(chloromethyl)-5-methyl-1,3-dioxol-2-one, 4-Cloromethyl-5-methyl-1,3-dioxol-2-one, 4-chloromethyl-5-methyl-1,3-dioxolen-2-one, PubChem10542, SureCN94170, ACMC-209pk7, KSC490E4R, DIO022, CTK3J0248, MolPort-003-987-256, ANW-37397, SBB070689, ZINC21300263, AKOS006380113, AG-A-74457, LS40764, QC-1471, RP17353, RP21241

Molecular Formula: C5H5ClO3Molecular Weight: 148.544400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QCLFSYYUWPUWQR-UHFFFAOYSA-N

• 4-(N-Ethyl-N-2-methanesulfonylaminoethyl)-2-methylphenylenediamine
IUPAC Name: N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide; N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide; sulfuric acid | CAS Registry Number: 25646-71-3
Synonyms: Kodak CD-3, CD III, CD 3, FCD 03, EINECS 247-161-5, CD 003, NSC 164932, LS-90070, N-(2-(4-Amino-N-ethyl-m-toluidino)ethyl)methanesulfonamide sulfate (2:3), N-(2-(4-Amino-N-ethyl-m-toluidino)ethyl)methanesulphonamide sesquisulphate, Methanesulfonamide, N-(2-((4-amino-3-methylphenyl)ethylamino)ethyl)-, sulfate (2:3), Methanesulfonamide, N-(2-(4-amino-N-ethyl-m-toluidino)ethyl)-, sulfate (2:3), Methanesulfonamide, N-[2-[(4-amino-3-methylphenyl)ethylamino]ethyl]-, sulfate (2:3), N-{2-[(4-amino-3-methylphenyl)(ethyl)amino]ethyl}methanesulfonamide sulfate (2:3), 161061-60-5, 92-09-1

Molecular Formula: C24H48N6O16S5Molecular Weight: 836.993520 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 22

InChIKey: NPDFXFLCEDDWEG-UHFFFAOYSA-N

• 4-Fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-N,beta-diphenylbenzenebutaneamide
IUPAC Name: 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide | CAS Registry Number: 125971-96-2
Synonyms: 2[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-pentanoic acid phenylamide, 2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide, 4-Fluoro-Alpha-(2-Methyl-1-Oxopropyl)-Gamma-Oxo-N,Beta-Diphenylbenzene Butaneamide, 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide, 4-Fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-N,bata-diphenylbenzene butaneamide, ATORVASTATIN M4, PubChem19818, ACMC-1C6GE, AGN-PC-00GCEO, CTK8B6008, MolPort-019-918-530, ANW-51931, ATORVASTATIN INTERMEDIATE (II), AKOS015840719, AM90284, CL23799, MCULE-1452311956, YF10013, AK-25339, BR-25339

Molecular Formula: C26H24FNO3Molecular Weight: 417.472063 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: SNPBHOICIJUUFB-UHFFFAOYSA-N

• 1-(3-Hydroxymethylpyridin-2-yl)-4-methyl-2-phenylpiperazine
IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride | CAS Registry Number: 141109-19-5
Synonyms: AB1004590

Molecular Formula: C15H17Cl2NO2SMolecular Weight: 346.271980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZXANKCFSGFEBQW-PFEQFJNWSA-N

• 1,4-Bis-(bromoacetoxy)-2-butene (BBAB)
IUPAC Name: [(E)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate | CAS Registry Number: 20679-58-7
Synonyms: Slimacide V 10, Caswell No. 088A, EINECS 243-962-9, NSC 23989, 2-Butene-1,4-diol bis(bromoacetate), 2-Butene-1,4-diyl bis(bromoacetate), 1,4-BIS(BROMOACETOXY)-2-BUTENE, Acetic acid, bromo-, 2-butenylene ester, LS-11135, Acetic acid, bromo-, 2-butene-1,4-diyl ester, Acetic acid, bromo-, 2-butenylene ester (8CI)

Molecular Formula: C8H10Br2O4Molecular Weight: 329.970600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: SIHKVAXULDBIIY-OWOJBTEDSA-N

• 5,6-Dimethoxy-1-Indanone
IUPAC Name: 5,6-dimethoxy-2,3-dihydroinden-1-one | CAS Registry Number: 2107-69-9
Synonyms: 5,6-Dimethoxy-1-indanone, 5,6-Dimethoxyindan-1-one, 147826_ALDRICH, NSC401450, CID75018, EINECS 218-287-8, ZINC00164394, NSC 401450, 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-, ST5308464, TL8001751, InChI=1/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H

Molecular Formula: C11H12O3Molecular Weight: 192.211180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IHMQOBPGHZFGLC-UHFFFAOYSA-N

• 2,2-Dimethylvaleric Acid
IUPAC Name: 2,2-dimethylpentanoic acid | CAS Registry Number: 1185-39-3
Synonyms: Neoheptanoic acid, 2,2-Dimethylpentanoic acid, 2,2-DIMETHYLVALERIC ACID, Pentanoic acid, 2,2-dimethyl-, Valeric acid, 2,2-dimethyl-, alpha,alpha-Dimethylvaleric acid, 41740_ALDRICH, 41740_FLUKA, EINECS 214-682-4, NSC 61983, CID14455, NSC61983, BRN 1747703, LMFA01020085, .alpha.,.alpha.-Dimethylvaleric acid, FR-0287, alpha,alpha-DIMETHYL-n-VALERIC ACID, Pentanoic acid, 2,2-dimethyl- (9CI), LS-161077, 4-02-00-00976 (Beilstein Handbook Reference)

Molecular Formula: C7H14O2Molecular Weight: 130.184860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZRYCZAWRXHAAPZ-UHFFFAOYSA-N

• 6-Methoxy-2-(4-methoxyphenyl)benzo[b]thiophene
IUPAC Name: 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene | CAS Registry Number: 63675-74-1
Synonyms: 561290_ALDRICH, EINECS 264-408-2, ZINC00385624, 7M-358S, TL8004455, 6-Methoxy-2-(4-methoxyphenyl)benzo(b)thiophene, 6-methoxy-2-(4-methoxy-phenyl)-benzo[b]thiophene

Molecular Formula: C16H14O2SMolecular Weight: 270.346160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HRWAGCVMOGWQJF-UHFFFAOYSA-N

• 2,3-Dihydro-2,2-Dimethyl-7-Benzofuranol Methylcarbamate
IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate | CAS Registry Number: 1563-66-2
Synonyms: carbofuran, Furadan, Curaterr, Yaltox, Carbofurane, Pillarfuran, Crisfuran, Kenofuran, Chinufur, Furacarb, Brifur, Furadan 3G, Furodan, Furadan G, Furadan 4f, Karbofuranu [Polish], Niagara 10242, Caswell No. 160A, Niagara nia-10242, Spectrum_001895

Molecular Formula: C12H15NO3Molecular Weight: 221.252400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DUEPRVBVGDRKAG-UHFFFAOYSA-N

• 3-Hydroxybenzoic acid
IUPAC Name: 3-hydroxybenzoic acid | CAS Registry Number: 99-06-9
Synonyms: 3-Carboxyphenol, m-Salicylic acid, M-HYDROXYBENZOIC ACID, m-Hba, Benzoic acid, 3-hydroxy-, Benzoic acid, m-hydroxy-, 3-Hydroxybenzoate, 3pcb, Enamine_005356, H20008_ALDRICH, Acido m-idrossibenzoico [Italian], Kyselina 3-hydroxybenzoova [Czech], 54610_FLUKA, 54620_FLUKA, CHEBI:30764, EINECS 202-726-5, NSC 55746, AIDS018037, AIDS-018037, NSC55746

Molecular Formula: C7H6O3Molecular Weight: 138.120740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IJFXRHURBJZNAO-UHFFFAOYSA-N

• 4-Methylbenzophenone
IUPAC Name: (4-methylphenyl)-phenylmethanone | CAS Registry Number: 134-84-9
Synonyms: p-Benzoyltoluene, p-Methylbenzophenone, Phenyl p-tolyl ketone, 4-Methyl benzophenone, p-Benzophenone, methyl-, BENZOPHENONE, 4-METHYL-, Methanone, (4-methylphenyl)phenyl-, USAF DO-54, WLN: 1R DVR, M29959_ALDRICH, NSC 4898, EINECS 205-159-1, (4-Methyphenyl)(phenyl)methanone, NSC4898, (4-Methylphenyl)(phenyl)methanone, AI3-18452, NCGC00164221-01, LS-38942

Molecular Formula: C14H12OMolecular Weight: 196.244480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WXPWZZHELZEVPO-UHFFFAOYSA-N

• 1-Nitroguanidine
IUPAC Name: 2-nitroguanidine | CAS Registry Number: 556-88-7
Synonyms: Nitroguanidine, Guanidine, nitro-, Picrite, 2-Nitroguanidine, N''-Nitroguanidine, N-nitroguanidine, 1-NITROGUANIDINE, Guanidine, 1-nitro-, .alpha.-Nitroguanidine, N1-Nitroguanidine, 1-nitro-guanidine, N(1)-Nitroguanidine, Nitroguanidine, wet, Picrite (the explosive), .beta.-Nitroguanidine, WLN: WNMYZUM, Guanidine, 1-nitro- (wet), N17351_ALDRICH, HSDB 5693, CHEBI:39180

Molecular Formula: CH4N4O2Molecular Weight: 104.068060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: IDCPFAYURAQKDZ-UHFFFAOYSA-N

• 2-(Benzylthio)nicotinic acid
IUPAC Name: 2-benzylsulfanylpyridine-3-carboxylic acid | CAS Registry Number: 112811-90-2
Synonyms: 2-(benzylthio)nicotinic acid, 2-Benzylsulfanyl-nicotinic acid, 2-(benzylsulfanyl)nicotinic acid, SBB053014, 2-[benzylthio]nicotinic acid, 3-Pyridinecarboxylicacid, 2-[(phenylmethyl)thio]-, PubChem10737, ACMC-20cuk0, AC1Q5UUI, ChemDiv3_013058, 2-Thiobenzylnicotinic Acid, AC1LFQ53, SureCN3594763, MLS000046237, 2-Benzylsulfanylnicotinic acid, CTK0H4672, MolPort-001-769-484, HMS1510B12, HMS2446N24, AR-1C8579

Molecular Formula: C13H11NO2SMolecular Weight: 245.296940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OJNZDGDYAXCHPB-UHFFFAOYSA-N


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