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Shanghai Sochem International Co., Ltd.

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Contact: Mr.John Xu
Web: http://www.sochem.com.cn
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Address: Rm 504, ESIT Plaza,1877 South Pudong Road, Pudong, Shanghai 200122, China
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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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• 5-Methoxy-2-[(4-Methoxy-3, 5-Dimethyl-2-Pyridinyl)-Methylthio-1h-Benzimidazole
IUPAC Name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole | CAS Registry Number: 73590-85-9
Synonyms: Omeprazole sulfide, Ufiprazole [INN], Ufiprazol [Spanish], Ufiprazolum [Latin], CID155794, 5-Methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)thio)benzimidazol, 5-Methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)thio)benzimidazole, 1H-Benzimidazole, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)thio)-

Molecular Formula: C17H19N3O2SMolecular Weight: 329.416660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: XURCIPRUUASYLR-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-Alpha-Methyl-2-Naphthaleneacetic Acid
IUPAC Name: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | CAS Registry Number: 22204-53-1
Synonyms: NAPROXEN, Equiproxen, Laraflex, Calosen, Reuxen, Bonyl, Axer, d-Naproxen, Novonaprox, Rheumaflex, Saritilron, Acusprain, Anexopen, Arthrisil, Artrixen, Artroxen, Bipronyl, Clinosyn, Danaprox, Flexipen

Molecular Formula: C14H14O3Molecular Weight: 230.259160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CMWTZPSULFXXJA-VIFPVBQESA-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-[(1,1-Dimethylethyl)-Imino]-Tetrehydro-3-(1-Methylethyl)-5-Phenyl-4H-1,3,5-Thiadiazin-4- One
IUPAC Name: 2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one | CAS Registry Number: 69327-76-0
Synonyms: Applaud, BUPROFEZIN, Buprofezine, (E)-buprofezin, (Z)-buprofezin, Buprofezin [BSI:ISO], Buprofezine [ISO-French], Buprofezine [ISO-French], NNI 750, 37886_RIEDEL, CHEBI:3218, PP618, CHEBI:39380, CHEBI:39381, CID50367, BRN 1010518, AI3-29749, NCGC00163828-01, NCGC00163828-02, NCGC00163828-03

Molecular Formula: C16H23N3OSMolecular Weight: 305.438320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PRLVTUNWOQKEAI-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

• 3,6-Dihydroxypyridazine
IUPAC Name: 1,2-dihydropyridazine-3,6-dione | CAS Registry Number: 123-33-1
Synonyms: Vondalhyde, Antergon, Antyrost, Malazide, Stuntman, Regulox, Vondrax, Malzid, Retard, MALEIC HYDRAZIDE, Sprout/off, Maleic hydrazine, De-sprout, Sucker-Stuff, Super-de-sprout, Sprout-Stop, Burtolin, Chemform, Unriprim, Milurit

Molecular Formula: C4H4N2O2Molecular Weight: 112.086760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BGRDGMRNKXEXQD-UHFFFAOYSA-N

• 5-Difluoro Methoxy-2[[(3,4-Dimethoxy-2 -Pyridinyl) Methyl]Thio]-1 -H- Benzimidazole (Sulphide)
IUPAC Name: 6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-1H-benzimidazole | CAS Registry Number: 102625-64-9
Synonyms: 5-Difluoromethoxy-2-[(3,4-dimethoxy-2-pyridinyl)methyl]thio-1H-benzimidazole, 5-DIFLUOROMETHOXY-2-, SBB070987, 5-Difluoromethoxy-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]thio}-1H-benzimidazole, 5-difluoromethoxy-2-{((3,4-dimethoxy-2-pyridinyl)methyl)thio}-1h-benzimidazole, Pantoprazole sulfide, Pantoprazole thioether, PubChem20403, ACMC-1BOUK, UNII-BWZ6X03HIB, SureCN537800, KSC498E9N, Pantoprazole related compound B, Jsp000294, CTK3J8296, MolPort-003-849-784, ANW-14723, ZINC16158998, )METHYLTHIO]-1H-BENZIMIDAZOLE, AKOS015895368

Molecular Formula: C16H15F2N3O3SMolecular Weight: 367.370406 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: UKILEIRWOYBGEJ-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

• 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

•   Fluazinam
IUPAC Name: 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine | CAS Registry Number: 79622-59-6
Synonyms: Fluazinam, Frowncide, Shirlan Flow, Shirlan (Zeneca), Fluazinam solution, Fluazinam [ISO], HSDB 7264, 34095_RIEDEL, 46316_RIEDEL, IKF 1216, ASC 66825, ASC 67178, PP 192, CID91731, NCGC00163725-01, NCGC00163725-02, LS-130084, 3-Chloro-N-(5-chloro-2,6-dinitro-4-trifluoromethylphenyl)-5-trifluoromethyl-2-pyridinamine, 2-Pyridinamine, 3-chloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-, 3-Chloro-N-(3-chloro-2,6-dinitro-4-trifluoromethylphenyl)-5-trifluoromethyl-2-pyridylamine

Molecular Formula: C13H4Cl2F6N4O4Molecular Weight: 465.091679 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 12

InChIKey: UZCGKGPEKUCDTF-UHFFFAOYSA-N

• 2-Cyaniminothiazolidine
IUPAC Name: 4,5-dihydro-1,3-thiazol-2-ylcyanamide | CAS Registry Number: 26364-65-8
Synonyms: 2-Cyanoimino-1,3-thiazolidine, 4,5-dihydro-1,3-thiazol-2-ylcyanamide, 2-(Cyanoimino)thiazolidine, PubChem13590, AC1MV1NH, Jsp005183, CTK8B4352, 4,5-dihydrothiazol-2-ylcyanamide, MolPort-002-887-816, (Z)-thiazolidin-2-ylidene-cyanamide, AC-287, ANW-44793, BD2289, AKOS006276470, N-(1,3-thiazolan-2-yliden)cyanamide, MCULE-4571931190, MS-3389, AK-34441, FT-0638596, M-3479

Molecular Formula: C4H5N3SMolecular Weight: 127.167600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WTUAWWLVVCGTRG-UHFFFAOYSA-N

• 2-Methyl-3-biphenylmethanol
IUPAC Name: (2-methyl-3-phenylphenyl)methanol | CAS Registry Number: 76350-90-8
Synonyms: 361631_ALDRICH, (2-Methyl-3-biphenylyl)methanol, (1,1'-Biphenyl)-3-methanol, 2-methyl-, (2-Methyl[1,1'-biphenyl]-3-yl)methanol, TL8005215

Molecular Formula: C14H14OMolecular Weight: 198.260360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BGTLHJPGBIVQLJ-UHFFFAOYSA-N

• 2-(Nitroimino)imidazolidine
IUPAC Name: N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)nitramide | CAS Registry Number: 5465-96-3
Synonyms: ZINC01628120, CID5539139

Molecular Formula: C3H7N4O2+Molecular Weight: 131.113280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: DJZWNSRUEJSEEB-UHFFFAOYSA-O

• 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

• 3-Chloro-2,2-dimethylpropionyl chloride
IUPAC Name: 3-chloro-2,2-dimethylpropanoyl chloride | CAS Registry Number: 4300-97-4
Synonyms: 3-Chloropivaloyl chloride, beta-Chloropivaloyl chloride, CHLOROPIVALOYL CHLORIDE, 225703_ALDRICH, CID61345, EINECS 224-311-8, NA9263, ZINC01850836, 3-Chloro-2,2-dimethylpropaneyl chloride, 3-chloro-2,2-dimethylpropanoyl chloride, Propanoyl chloride, 3-chloro-2,2-dimethyl-, Chloropivaloyl chloride [NA9263] [Poison]

Molecular Formula: C5H8Cl2OMolecular Weight: 155.022420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MQZNDDUMJVSIMH-UHFFFAOYSA-N

• 2,4-Dibromo thiophene
IUPAC Name: 2,4-dibromothiophene | CAS Registry Number: 3140-92-9
Synonyms: 2,4-Dibromothiophene, Thiophene, 2,4-dibromo-, ZINC02168779, CID2724560, ST5405449, TL8002398, InChI=1/C4H2Br2S/c5-3-1-4(6)7-2-3/h1-2

Molecular Formula: C4H2Br2SMolecular Weight: 241.931680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WAQFYSJKIRRXLP-UHFFFAOYSA-N

• 6,8-Dichloroethylcaprylate
IUPAC Name: ethyl 6,8-dichlorooctanoate | CAS Registry Number: 1070-64-0
Synonyms: 6,8-Dichlorooctanoic acid ethyl ester, BRN 1771820, LS-97965, OCTANOIC ACID, 6,8-DICHLORO-, ETHYL ESTER, 4-02-00-00998 (Beilstein Handbook Reference)

Molecular Formula: C10H18Cl2O2Molecular Weight: 241.154720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RFYDWSNYTVVKBR-UHFFFAOYSA-N

• 2-Hydroxy-1,2-phenylethanone
IUPAC Name: 2-hydroxy-1,2-di(phenyl)ethanone | CAS Registry Number: 119-53-9
Synonyms: BENZOIN, Sumatra benzoin, Resin benjamin, Styrax benzoin, Benzoin resin, Resin benzoin, Benjamin gum, Benzoin Malasia, Benzoin Sumatra, Siam benzoin, Benzoin gum, Benzoin usp, Gum sumatra, Benzoin absolute, Benzoin resinoid, Benzoin tincture, Benzoin Siam, Gum Benjamin, Anxixang, Gum benzoin siam

Molecular Formula: C14H12O2Molecular Weight: 212.243880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ISAOCJYIOMOJEB-UHFFFAOYSA-N

• 1-H 1,2,4-Ltriazole Sodium Salt
IUPAC Name: sodium 2,4-diaza-5-azanidacyclopenta-1,3-diene | CAS Registry Number: 41253-21-8
Synonyms: 1,2,4-Triazole sodium salt, Sodium-1,2-4-triazolide, Sodium 1H-1,2,4-triazolate, Sodium 1H-1,2,4-triazolide, 1,2,4-Triazole, sodium salt, MLS001335997, MLS001335998, 1,2,4-Triazole sodium derivative, 197645_ALDRICH, sodium 1,2,4-triazol-1-ide, 1H-1,2,4-Triazole, sodium salt, EINECS 255-280-9, NCGC00090960-01, SMR000857331, LS-195501, TL8006523, 1H-1,2,4-Triazole, sodium salt (1:1), 117547-14-5

Molecular Formula: C2H2N3NaMolecular Weight: 91.047150 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NVMNEWNGLGACBB-UHFFFAOYSA-N

• 2,3-Dimethyl-4-Nitropyridine-N-Oxide
IUPAC Name: 2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium | CAS Registry Number: 37699-43-7
Synonyms: 559849_ALDRICH, 4-Nitro-2,3-lutidine-N-oxide, 2,3-Dimethyl-4-nitropyridine 1-oxide, BRN 1569438, ZINC04831092, 4-Nitro-2,3-dimethylpyridine N-oxide, Pyridine, 2,3-dimethyl-4-nitro-, 1-oxide, LS-131487, ST5408449, TL8002771

Molecular Formula: C7H8N2O3Molecular Weight: 168.150020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CFMTVTYBZMKULI-UHFFFAOYSA-N

• 2,6-Difluorobenzamide
IUPAC Name: 2,6-difluorobenzamide | CAS Registry Number: 18063-03-1
Synonyms: Benzamide, 2,6-difluoro-, Ambap1714, 282278_ALDRICH, EINECS 241-972-8, ZINC00152949, CID87439, JRD-0429, LS-26492, TL8001442, InChI=1/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11

Molecular Formula: C7H5F2NOMolecular Weight: 157.117506 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AVRQBXVUUXHRMY-UHFFFAOYSA-N

• 4-Methylmercapto-3-Methylphenyldimethylthiophosphate
IUPAC Name: dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-$l^{5}-phosphane | CAS Registry Number: 55-38-9
Synonyms: fenthion, Mercaptophos, Baytex, Lebaycid, Sulfidophos, Fenthione, Phenthion, Queletox, Figuron, Spotton, Talodex, Tiguvon, Baycid, Entex, Fenthion-methyl, Mercaptofos, Bay-Bassa, Lebayeid, Thiophos, Spotten

Molecular Formula: C10H15O3PS2Molecular Weight: 278.328061 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PNVJTZOFSHSLTO-UHFFFAOYSA-N

• 1-Naphthylamine-4,6,8-trisulfonic acid
IUPAC Name: 8-aminonaphthalene-1,3,5-trisulfonic acid | CAS Registry Number: 17894-99-4
Synonyms: MolPort-005-933-479, CID87355, NSC35345, EINECS 241-837-3, AC-11886, 8-Aminonaphthalene-1,3,5-trisulphonic acid

Molecular Formula: C10H9NO9S3Molecular Weight: 383.374760 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: RQVVDWMOCSOAJS-UHFFFAOYSA-N

• [(1s, 3s, 4s)-4-Amino-3-Hydroxy-5-Phenyl-1-(phenylmethyl)pentyl]-Carbamic Acid 1,1-Dimethylethyl Ester
IUPAC Name: tert-butyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate | CAS Registry Number: 144163-85-9
Synonyms: tert-Butyl ((2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate, [(1S,3S,4S)-4-Amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-carbamic acid 1,1-dimethylethyl ester, [(1S,3S,4S)-4-Amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]carbamic acid 1,1-dimethyl ethyl ester, SureCN2059435, CTK7G8934, (2S,3S,5S)-2-AMINO-3-HYDROXY-5-(TERT-BUTYLOXYCARBONYLAMINO)-1,6-DIPHENYLHEXANE, MolPort-005-941-577, tert-butyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate, AKOS015841346, AKOS015896454, AG-A-03130, AK-33286, BR-33286, S029, KB-259926, FT-0655390, ST51053285, I06-1914, I14-14293

Molecular Formula: C23H32N2O3Molecular Weight: 384.511780 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: UKFHOTNATOJBKZ-ACRUOGEOSA-N

• 1-(2-Chloroethoxy)propane
IUPAC Name: 1-(2-chloroethoxy)propane | CAS Registry Number: 42149-74-6
Synonyms: Propane, 1-(2-chloroethoxy)-, ZINC02522731, EINECS 255-685-0, CID123506, BBV-14848840

Molecular Formula: C5H11ClOMolecular Weight: 122.593240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BHDSGQOSIWVMJW-UHFFFAOYSA-N

• 3-Acetoxy-O-Toluic Acid (CAS: 168399-58-9)
• 7-Hydroxyisoquinoline
IUPAC Name: isoquinolin-7-ol | CAS Registry Number: 7651-83-4
Synonyms: 7-Isoquinolinol, AIDS020734, AIDS-020734, CID459767, ZINC00332571, RTE2_000003, AE-641/31638060

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WCRKBMABEPCYII-UHFFFAOYSA-N

• 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

• 5-Chloro-1-indanone
IUPAC Name: 5-chloro-2,3-dihydroinden-1-one | CAS Registry Number: 42348-86-7
Synonyms: 433071_ALDRICH, ZINC00085658, 1H-Inden-1-one, 5-chloro-2,3-dihydro-, ST5405394, TL8003019

Molecular Formula: C9H7ClOMolecular Weight: 166.604280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MEDSHTHCZIOVPU-UHFFFAOYSA-N

• 4,6-Dichloro-5-methoxypyrimidine
IUPAC Name: 4,6-dichloro-5-methoxypyrimidine | CAS Registry Number: 5018-38-2
Synonyms: EINECS 225-699-1, NSC252184, Pyrimidine, 4,6-dichloro-5-methoxy-, TL8003327

Molecular Formula: C5H4Cl2N2OMolecular Weight: 179.004060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IJQIGKLDBGKSNT-UHFFFAOYSA-N

• 1-Naphthyl-N-Methylcarbamate
IUPAC Name: naphthalen-1-yl N-methylcarbamate | CAS Registry Number: 63-25-2
Synonyms: Carbaril, Sevin, CARBARYL, Karbaspray, Carylderm, Menaphtam, Tricarnam, Caprolin, Carbatox, Carbavur, Carpolin, Dicarbam, Karbatox, Karbosep, Arilate, Denapon, Gamonil, Hexavin, Seffein, Septene

Molecular Formula: C12H11NO2Molecular Weight: 201.221240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CVXBEEMKQHEXEN-UHFFFAOYSA-N

• 2,2-Dichlorovinyl Dimethyl Phosphate (DDVP)
IUPAC Name: 2,2-dichloroethenyl dimethyl phosphate | CAS Registry Number: 62-73-7
Synonyms: dichlorvos, Dichlorphos, Dichlorophos, Divipan, Atgard, Vapona, Chlorvinphos, Dichlorman, Dichlorovos, Lindanmafu, Szklarniak, Vinylophos, Winylophos, Krecalvin, Vinylofos, Brevinyl, Canogard, Equigard, Estrosel, Vaponite

Molecular Formula: C4H7Cl2O4PMolecular Weight: 220.975741 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OEBRKCOSUFCWJD-UHFFFAOYSA-N

• (2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
IUPAC Name: (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid | CAS Registry Number: 80875-98-5
Synonyms: L-Octahydroindole-2-carboxylic acid, (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid, (2S,3AS,7AS)-2-Carboxyoctahydroindole, (2S,3aS,7aS)-Octahydroindole-2-carboxylic acid, (2S,3aS,7aS)-2-Carboxyperhydroindole, (2S,3AS,7AS)-PERHYDROINDOLE-2-CARBOXYLIC ACID, (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid, hydroindole, L-Octahydroindole-2-carboxylicacid, Octahydro-indole-2-carboxylic acid, AC1OLREW, PubChem15646, H-OIC-OH, L-OIC-OH, AC1Q71AB, SureCN1414979, KSC448A4B, UNII-9ID44U804I, (2S,3aS,7aS)-2-carboxyocta, CTK3E8040

Molecular Formula: C9H15NO2Molecular Weight: 169.220900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CQYBNXGHMBNGCG-FXQIFTODSA-N

• 2,2-Dimethyl-5-(2,5xylyloxy) valeric isobutyl ester
IUPAC Name: 2-methylpropyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate | CAS Registry Number: 149105-26-0
Synonyms: Isobutyl 2,2-Dimethyl-5-(2,5-Xylyloxy)Valerate, DL-Naproxen:2,2-Dimethyl-5-(2,5xylyloxy) valeric isobutyl ester, Pentanoic acid,5-(2,5-dimethylphenoxy)-2,2-dimethyl-, 2-methylpropyl ester, ACMC-20n5lv, Jsp002817, CTK4C6045, MolPort-003-986-451, ZINC21298080, AKOS015890678, AG-D-95038, AC-19610, AK115100, H410, TL8001071, FT-0653809, ST51052162, Isobutyl 2,2-dimethyl-5-(2,5-xylyloxy)valerate;, I01-7098, Isobutyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate

Molecular Formula: C19H30O3Molecular Weight: 306.439700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: REPYTKNMHNVOPH-UHFFFAOYSA-N

• 4-Methyl-2-propyl-1H-benzimidazole-6-carboxyboxylic acid
IUPAC Name: 7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid | CAS Registry Number: 152628-03-0
Synonyms: 4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid, 4-Methyl-2-propyl-6-benzimidazolecarboxylic Acid, 4-Methyl-2-propyl-1H-benzo[d]imidazole-6-carboxylic acid, 2-n-propyl-4-methyl-6-carboxy benzimidazole, 1H-Benzimidazole-5-carboxylic acid, 7-methyl-2-propyl-, 1H-Benzimidazole-5-carboxylicacid, 7-methyl-2-propyl-, zlchem 378, PubChem8376, ACMC-20aj4a, SureCN158112, SureCN158113, KSC174I8N, BEN034, BEN587, Jsp002945, CTK0H4486, ZLC0222, MolPort-003-844-710, ACN-S004356, ACT02016

Molecular Formula: C12H14N2O2Molecular Weight: 218.251760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XWAJTVCEILFDGU-UHFFFAOYSA-N

• 4-(2-Piperidinoethoxy)benzoic acid hydrochloride
IUPAC Name: 4-(2-piperidin-1-ylethoxy)benzoic acid;hydrochloride | CAS Registry Number: 166975-76-4
Synonyms: 84449-80-9, 4-[2-(1-Pipiridine)ethoxybenzoic acid hydrochloride, 4-(2-(Piperidin-1-yl)ethoxy)benzoic acid hydrochloride, 4-(2-Piperidin-1-Yl-Ethoxy)Benzoic acid hydrochloride, 4-(2-piperidin-1-ylethoxy)benzoic acid hydrochloride, 4-(2-Piperidin-1-yl-ethoxy)-benzoic acid hydrochloride, 4-[2-(piperidin-1-yl)ethoxy]benzoic acid hydrochloride, AC1NX4VH, SureCN228100, DSSTox_CID_31630, DSSTox_RID_97514, DSSTox_GSID_57841, KSC652G4N, CTK5F2346, MolPort-000-150-118, BB_SC-7550, Benzoic acid, 4-(2-(1-piperidinyl)ethoxy)-, hydrochloride, EINECS 282-882-9, Tox21_113785, ANW-51361

Molecular Formula: C14H20ClNO3Molecular Weight: 285.766500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: CMVTYSMYHSVDIU-UHFFFAOYSA-N

• (R)-2-Hydroxy-4-phenylbutyric acid
IUPAC Name: (2R)-2-hydroxy-4-phenylbutanoic acid | CAS Registry Number: 267013-77-4
Synonyms: 29678-81-7, (R)-(-)-2-Hydroxy-4-phenylbutyric acid, (2R)-2-hydroxy-4-phenylbutanoic acid, (R)-2-Hydroxy-4-phenylbutanoicAcid, (R)-2-hydroxy-4-phenylbutanoic acid, PubChem5687, SureCN233440, AC1MC05S, 420085_ALDRICH, AC1Q59Q5, Jsp005621, CTK4F8369, MolPort-001-794-060, ANW-26676, (r)-2-hydroxy-4-phenyl-butyric acid, AKOS015855449, AC-6643, R-(-)-2-Hydroxy-4-phenylbutyric acid, AK-34569, BR-34569

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

InChIKey: JNJCEALGCZSIGB-SECBINFHSA-N

• 5-(2-Fluorophenyl)-1H-tetrazole
IUPAC Name: 5-(2,6-dichlorophenyl)-2H-tetrazole | CAS Registry Number: 50907-31-8
Synonyms: 5-(2,6-Dichlorophenyl)-1H-tetrazole, 5-(2,6-dichlorophenyl)-2H-tetrazole, 5-(2,6-dichlorophenyl)-1H-1,2,3,4-tetrazole, 5-(2,6-dichlorophenyl)-1H-1,2,3,4-tetraazole, Maybridge1_003804, AC1MDBFE, ACMC-20ama2, SCHEMBL5815118, CTK6H2932, CTK6H2935, HMS552E20, RLXQNTWJPTUTCL-UHFFFAOYSA-N, ZINC116114, 4530AE, 4531AE, MFCD00808036, SBB054216, AKOS022170075, AKOS023093260, FCH1323410

Molecular Formula: C7H4Cl2N4Molecular Weight: 215.037 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RLXQNTWJPTUTCL-UHFFFAOYSA-N

• 2-Azaspiro-[4,5]-decan-3-one
IUPAC Name: 2-azaspiro[4.5]decan-3-one | CAS Registry Number: 64744-50-9
Synonyms: 2-azaspiro[4.5]decan-3-one, 553743_ALDRICH, 3-Azaspiro[4.5]decan-2-one, 2-AZASPIRO(4,5)DECAN-3-ONE, 4,4-Pentamethylene-2-pyrrolidinone, CID47457, BRN 0119500, 2-PYRROLIDONE,4,4-PENTAMETHYLENE, LS-22729, beta,beta-Pentamethylen-gamma-butyrolactam [German], 5-21-07-00071 (Beilstein Handbook Reference), InChI=1/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11

Molecular Formula: C9H15NOMolecular Weight: 153.221500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JAWPQJDOQPSNIQ-UHFFFAOYSA-N

• 4-Amino-2-Methyl-10-H Thieno (2,3b)(1,5)-Benzodiazapin
IUPAC Name: 2-methyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-amine;hydrochloride | CAS Registry Number: 138564-60-0
Synonyms: 4-Amino-2-methyl-10H-thiene[2,3-b][1,5]benzodiazepine hydrochloride, 4-Amino-2-methyl-10H-thieno[2,3-b][1,5] benzodiazapine HCl, 2-Methyl-10H-benzo[b]thieno[2,3-e][1,4]diazepin-4-amine hydrochloride, 2-methyl-10H-benzo[b]thiopheno[3,2-f]1,4-diazepine-4-ylamine, chloride, SureCN937256, AGN-PC-00EA9V, CTK6C5841, MolPort-000-854-397, BB_SC-4610, SBB001030, AKOS000277837, AC-5499, AG-A-71353, MCULE-1167350983, RP29462, AK-25403, BR-25403, ST060217, AB1008597, TL8006140

Molecular Formula: C12H12ClN3SMolecular Weight: 265.761780 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: FYWKZVBFQWWTHT-UHFFFAOYSA-N

• 1h-Indole-5-Ethanesulfonamide, N-Methyl-3-(1-Methyl-4-Piperidinyl)-
IUPAC Name: N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide | CAS Registry Number: 121679-13-8
Synonyms: naratriptan, Amerge, Colatan, Naramig, UNII-QX3KXL1ZA2, CID4440, CHEBI:7478, C17H25N3O2S, DB00952, NCGC00181786-01, LS-83062, C07792, N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide, 1H-Indole-5-ethanesulfonamide, N-methyl-3-(1-methyl-4-piperidinyl)-, N-methyl-2-(3-(1-methylpiperiden-4-yl)indole-5-yl)ethanesulfonamide, N-methyl-2-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]-ethanesulfonamide, InChI=1/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H

Molecular Formula: C17H25N3O2SMolecular Weight: 335.464300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: AMKVXSZCKVJAGH-UHFFFAOYSA-N


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