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KHBoddin GmbH

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Profile: Karl H. Boddin Chemiehandel GmbH deals with pharmaceutical chemical products, raw materials and intermediates. We provide animal feed additives, foodstuff additives, raw materials for cosmetics and oil-based primary chemical products. Our product line includes acetanilide, acenaphthene, acetoacetanilide, acetylencarboxylic acid, 2-amino-4,5-dimethoxybenzoic acid, ammonium benzoate, benzalkonium chloride, benzotriazole, benzylacetone, benzyl acetate and 2-n-butylbenzofuran.

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• 4-methoxythiobenzamide
IUPAC Name: 4-methoxybenzenecarbothioamide | CAS Registry Number: 2362-64-3
Synonyms: Thio-p-anisamide, 4-Methoxythiobenzamide, p-Methoxythiobenzamide, 4-methoxybenzenecarbothioamide, MLS000389619, Benzenecarbothioamide, 4-methoxy-, 649503_ALDRICH, AIDS009548, AIDS-009548, SBB016507, ZINC00161785, SMR000255893, TL8006920, InChI=1/C8H9NOS/c1-10-7-4-2-6(3-5-7)8(9)11/h2-5H,1H3,(H2,9,11

Molecular Formula: C8H9NOSMolecular Weight: 167.228160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WKWVTPKUHJOVTI-UHFFFAOYSA-N

• 4-Methyl Diphenyl Sulfide
IUPAC Name: 1-methyl-4-phenylsulfanylbenzene | CAS Registry Number: 3699-01-2
Synonyms: 1-methyl-4-phenylsulfanylbenzene, Benzene, 1-methyl-4-(phenylthio)-, ZINC01095307, CID138011

Molecular Formula: C13H12SMolecular Weight: 200.299380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: CPZFPNKPHBCUOB-UHFFFAOYSA-N

• 4-Methyl Sulfonyl-Acetophenone
IUPAC Name: 1-(4-methylsulfonylphenyl)ethanone | CAS Registry Number: 10297-73-1
Synonyms: 4-(Methylsulfonyl)acetophenone, 549304_ALDRICH, 4'-(Methylsulfonyl)acetophenone, NSC403928, 4-METHYLSULFONYLACETOPHENONE, CID82529, EINECS 233-672-0, ZINC00153497, 1-(4-(Methylsulfonyl)phenyl)ethanone, Ethanone, 1-(4-methylsulfonylphenyl)-, FS000019, 1-(4-(Methylsulphonyl)phenyl)ethan-1-one, Ethanone, 1-[4-(methylsulfonyl)phenyl]-, ST5405742, TL8000138

Molecular Formula: C9H10O3SMolecular Weight: 198.238900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KAVZYDHKJNABPC-UHFFFAOYSA-N

• 4-Methyl Thio Benzoic Acid
IUPAC Name: 4-methylsulfanylbenzoic acid | CAS Registry Number: 13205-48-6
Synonyms: 4-(Methylthio)benzoic acid, p-(Methylthio)benzoic acid, Benzoic acid, p-(methylthio)-, 4-methylsulfanyl-benzoic acid, Benzoic acid, 4-(methylthio)-, 4-(Methylmercapto)benzoic acid, 4-(Methylsulfanyl)benzoic acid, 145521_ALDRICH, EINECS 236-171-5, NSC400301, ST5407537, TL80073594

Molecular Formula: C8H8O2SMolecular Weight: 168.212920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KWHCPERWLHBLOT-UHFFFAOYSA-N

• 4-Methyl Thio Benzyl Alcohol
IUPAC Name: (4-methylsulfanylphenyl)methanol | CAS Registry Number: 3446-90-0
Synonyms: 4-(Methylthio)benzyl alcohol, 4-Methylthio benzyl alcohol, p-(Methylthio)benzyl alcohol, 230685_ALDRICH, ZINC00157460, TL8006798, InChI=1/C8H10OS/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H

Molecular Formula: C8H10OSMolecular Weight: 154.229400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MTXQKSQYMREAGJ-UHFFFAOYSA-N

• 4-Methyl Thiosemi Carbazide
IUPAC Name: 1-amino-3-methylthiourea | CAS Registry Number: 6610-29-3
Synonyms: Methylthiosemicarbazide, 4-Methylthiosemicarbazide, N-Methylthiosemicarbazide, 4-Methyl-3-thiosemicarbazide, 1-Methyl-2-thiosemicarbazide, Semicarbazide, 4-methyl-3-thio-, Hydrazinecarbothioamide, N-methyl-, 4-Methylhydrazinecarbothioamide, 130060_ALDRICH, EINECS 229-563-2, N-METHYLHYDRAZINECARBOTHIOAMIDE, NSC 56911, NSC56911, ZINC03861021, B 1130, LS-76536, Semicarbazide, 4-methyl-3-thio- (8CI)

Molecular Formula: C2H7N3SMolecular Weight: 105.162080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 1

InChIKey: PTVZQOAHCSKAAS-UHFFFAOYSA-N

• 4-Methylbenzylidene camphor
IUPAC Name: (1S,3E,4R)-1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one | CAS Registry Number: 36861-47-9
Synonyms: Enzacamene, ZINC01481820, CID6989205

Molecular Formula: C18H22OMolecular Weight: 254.366680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HEOCBCNFKCOKBX-OYEVUCPFSA-N

• 4-Methyldiphenylamine
IUPAC Name: 4-methyl-N-phenylaniline | CAS Registry Number: 620-84-8
Synonyms: 4-methyl-N-phenylaniline, N-Phenyl-p-toluidine, MLS000547100, Benzenamine, 4-methyl-N-phenyl-, 4-METHYL-N-PHENYLBENZAMINE, EINECS 210-655-6, ZINC00968704, SMR000113884, ST5407541, TL8004028, AE-641/05536041

Molecular Formula: C13H13NMolecular Weight: 183.249020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: AGHYMXKKEXDUTA-UHFFFAOYSA-N

• 4-Methylimidazole
IUPAC Name: 5-methyl-1H-imidazole | CAS Registry Number: 822-36-6
Synonyms: 4(5)-Methylimidazole, 5-Methylimidazole, 1H-Imidazole, 4-methyl-, 4-Methyl-1H-imidazole, 4-Me-i, IMIDAZOLE, 4-METHYL-, 4(or 5)-Methylimidazole, 5-Methyl-1H-imidazole, S-3-furyl ethanethioate, WLN: T5M CNJ D1, MLS001065586, 199885_ALDRICH, 67580_FLUKA, EINECS 212-497-3, NSC 40744, NSC40744, SBB004403, ethanethioic acid, S-3-furanyl ester, AI3-08274, LS-1819

Molecular Formula: C4H6N2Molecular Weight: 82.103840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XLSZMDLNRCVEIJ-UHFFFAOYSA-N

• 4-Methylsulfonyl alpha-bromoacetophenone
IUPAC Name: 2-bromo-1-(4-methylsulfonylphenyl)ethanone | CAS Registry Number: 50413-24-6
Synonyms: 4-(Methyl Sulfonyl) Acetophenone, ZINC00153498, CID735823, TL8006870, 9W-0291

Molecular Formula: C9H9BrO3SMolecular Weight: 277.134960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JOCMYOUZIDSYFO-UHFFFAOYSA-N

• 4-Methylsulfonyl benzoic acid
IUPAC Name: 4-methylsulfonylbenzoic acid | CAS Registry Number: 4052-30-6
Synonyms: 4-(Methylsulfonyl)benzoic acid, 136417_ALDRICH, p-(Methylsulphonyl)benzoic acid, 4-(Methanesulfonyl)benzoic acid, p-(Methylsulfonyl)-benzoic acid, Benzoic acid, 4-(methylsulfonyl)-, Benzoic acid, p-(methylsulfonyl)-, NSC11336, EINECS 223-756-5, ST5319409, TL8006873

Molecular Formula: C8H8O4SMolecular Weight: 200.211720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: AJBWNNKDUMXZLM-UHFFFAOYSA-N

• 4-Methylsulfonyl Nitrobenzene
IUPAC Name: 1-methylsulfonyl-4-nitrobenzene | CAS Registry Number: 2976-30-9
Synonyms: Methyl 4-nitrophenyl sulfone, Sulfone, methyl p-nitrophenyl, Maybridge1_006283, Methyl p-nitrophenyl sulfone, NCIOpen2_005288, 4-Methylsulfonyl nitro benzene, 1-methylsulfonyl-4-nitrobenzene, AIDS107458, 4-(Methylsulfonyl)-1-nitrobenzene, AIDS-107458, NSC87342, ZINC00081124, Benzene, 1-(methylsulfonyl)-4-nitro-, TL8006886, A3977/0169432, InChI=1/C7H7NO4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H

Molecular Formula: C7H7NO4SMolecular Weight: 201.199780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XONGBDXIFQIQBN-UHFFFAOYSA-N

• 4-Methylthio Acetophenone
IUPAC Name: 1-(4-methylsulfanylphenyl)ethanone | CAS Registry Number: 1778-09-2
Synonyms: 4-(Methylthio)acetophenone, 4'-(Methylthio)acetophenone, 4'-Methylmercaptoacetophenone, 396583_ALDRICH, NSC403927, CID74501, Ethanone, 1-[4-(methylthio)phenyl]-, EINECS 217-213-1, ZINC00330143, 1-(4-methylsulfanyl-phenyl)-ethanone, 1-[4-(Methylsulfanyl)phenyl]ethanone, 1-(4-(Methylthio)phenyl)ethan-1-one, 1-[4-(Methylthio)phenyl]ethan-1-one, ST5408358, TL8006800, AB-131/40227350

Molecular Formula: C9H10OSMolecular Weight: 166.240100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JECUZQLBQKNEMW-UHFFFAOYSA-N

• 4-Methylthio benzonitrile
IUPAC Name: 4-methylsulfanylbenzonitrile | CAS Registry Number: 21382-98-9
Synonyms: 4-(Methylthio)benzonitrile, 4-(Methylsulfanyl)benzonitrile, SBB058371, 4-methylthiobenzenecarbonitrile, ZINC00157122, PubChem10528, p-Methylthio benzonitrile, ACMC-1CR7A, 4-methylsulfanylbenzonitrile, AC1LBY10, SureCN1145161, 4-methylsulfanyl-benzonitrile, 279684_ALDRICH, CTK3J0701, 4-methylsulfanylbenzenecarbonitrile, MolPort-002-462-147, STL253599, AKOS008969313, AG-E-56650, MCULE-7343578128

Molecular Formula: C8H7NSMolecular Weight: 149.212880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RPVGEEHGKIFQFO-UHFFFAOYSA-N

• 4-Methylthio benzyl alcohol
IUPAC Name: 2-bromo-5-chlorothiophene | CAS Registry Number: 2873-18-9
Synonyms: 2-Bromo-5-chlorothiophene, 2-Chloro-5-bromothiophene, 5-Bromo-2-chlorothiophene, 329762_ALDRICH, ZINC01840973, CID76133, EINECS 220-708-5, ST5405272, TL8002266, InChI=1/C4H2BrClS/c5-3-1-2-4(6)7-3/h1-2

Molecular Formula: C4H2BrClSMolecular Weight: 197.480680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZFAJPWYXLYGUJU-UHFFFAOYSA-N

• 4-Methylthio phenol
IUPAC Name: 5-chloro-3-methyl-1-benzothiophene | CAS Registry Number: 19404-18-3
Synonyms: Maybridge1_005366, 5-Chloro-3-methyl benzo[b]thiophene, NSC248678, ZINC00162004, ST5406858, TL8006895

Molecular Formula: C9H7ClSMolecular Weight: 182.669880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UWDQVEPXORTQFO-UHFFFAOYSA-N

• 4-Methylthio phenyl acetic acid
IUPAC Name: 2-(4-methylsulfanylphenyl)acetic acid | CAS Registry Number: 16188-55-9
Synonyms: 4-(Methylthio)phenylacetic acid, 2-(4-(methylthio)phenyl)acetic acid, 4-Methylthiophenylaceticacid, F2182-0137, 2-(4-methylthiophenyl)acetic acid, 2-(4-methylsulfanylphenyl)acetic Acid, AC1NLKSL, PubChem10785, SureCN46640, AC1Q4GZ9, 396591_ALDRICH, CTK3I9799, GEO-01963, SBB068771, (4-Methylsulfanyl-phenyl)-acetic acid, AKOS000279298, AG-E-11620, MCULE-6921616947, RP24342, AK-45539

Molecular Formula: C9H10O2SMolecular Weight: 182.239500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AHMLFHMRRBJCRM-UHFFFAOYSA-N

• 4-Methylthio thiophenol
IUPAC Name: 4-methylsulfanylbenzenethiol | CAS Registry Number: 1122-97-0
Synonyms: 4-(Methylthio)thiophenol, 4-(Methylsulfanyl)benzenethiol, 4-(Methylthio)benzenethiol, 4-(Methylsulfanyl)thiophenol, 4-(Methylthio)phenyl mercaptan, 662496_ALDRICH, CID136896, TL8006753

Molecular Formula: C7H8S2Molecular Weight: 156.268420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KYMOWQQIZINTJZ-UHFFFAOYSA-N

• 4-methylthioanisole
IUPAC Name: 1-methyl-4-methylsulfanylbenzene | CAS Registry Number: 623-13-2
Synonyms: 4-(Methylthio)toluene, Methyl p-tolyl sulfide, p-(Methylthio)toluene, Sulfide, methyl p-tolyl, p-Tolyl methyl sulfide, Methyl p-cresyl sulfide, p-Cresyl methyl sulfide, Methyl p-tolyl sulphide, p-Methylphenyl methyl sulfide, 4-Methyl-(1-thiaethyl)benzene, Benzene, 1-methyl-4-(methylthio)-, 275956_ALDRICH, 1-methyl-4-methylsulfanylbenzene, Sulfide, methyl p-tolyl (8CI), NSC6256, NSC 6256, EINECS 210-773-8, ZINC01693361, AI3-18866, TL8004105

Molecular Formula: C8H10SMolecular Weight: 138.230000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VHILIAIEEYLJNA-UHFFFAOYSA-N

• 4-Metlylindole
IUPAC Name: 4-methyl-1H-indole | CAS Registry Number: 16096-32-5
Synonyms: 4-Methylindole, Indole, 4-methyl-, 4-Methyl-1H-indole, 1H-Indole, 4-methyl-, ZINC02141018, ALBB-006050, CID85282, EINECS 240-262-5, M2328G1, SL-02969, TL8001224, M-3900, InChI=1/C9H9N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6,10H,1H

Molecular Formula: C9H9NMolecular Weight: 131.174460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PZOUSPYUWWUPPK-UHFFFAOYSA-N

• 4-Nitro Benzaldehyde
IUPAC Name: 4-nitrobenzaldehyde | CAS Registry Number: 555-16-8
Synonyms: 4-nitrobenzaldehyde, p-Nitrobenzaldehyde, Benzaldehyde, 4-nitro-, p-Formylnitrobenzene, Benzaldehyde, p-nitro-, para-nitrobenzaldehyde, 4NBZ, WLN: WNR DVH, CCRIS 1675, 130176_ALDRICH, 4-nitrobenzaldehyde, ion(1-), CID541, NSC 6103, 72800_FLUKA, EINECS 209-084-5, CPD-703, NSC6103, ZINC00164513, AI3-52475, 4-nitrobenzaldehyde, 1-(13)C-labeled

Molecular Formula: C7H5NO3Molecular Weight: 151.119500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BXRFQSNOROATLV-UHFFFAOYSA-N

• 4-Nitro-1-naphthol
IUPAC Name: 4-nitronaphthalen-1-ol | CAS Registry Number: 605-62-9
Synonyms: 1-Naphthalenol, 4-nitro-, NSC400336, CID343829, ST5408514

Molecular Formula: C10H7NO3Molecular Weight: 189.167480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AUIRNGLMBHIITH-UHFFFAOYSA-N

• 4-Nitro-3-cresol
IUPAC Name: 3-methyl-4-nitrophenol | CAS Registry Number: 2581-34-2
Synonyms: 4-Nitro-m-cresol, 3-Methyl-4-nitrophenol, m-Cresol, 4-nitro-, 2-Nitro-5-hydroxytoluene, 5-Hydroxy-2-nitrotoluene, 4-Nitro-5-methylphenol, Phenol, 3-methyl-4-nitro-, 4-Nitro-3-methylphenol, P-NITRO-M-CRESOL, MET678B_SUPELCO, WLN: WNR DQ B1, M62654_ALDRICH, 4-Nitro-1-hydroxy-3-methylbenzene, CHEBI:38683, EINECS 219-952-5, NSC 69190, NSC69190, BRN 1868105, AI3-19030, LS-55426

Molecular Formula: C7H7NO3Molecular Weight: 153.135380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PIIZYNQECPTVEO-UHFFFAOYSA-N

• 4-Nitro-4'-Methyltriphenylamine
IUPAC Name: 4-methyl-N-(4-nitrophenyl)-N-phenylaniline | CAS Registry Number: 894430-73-0
Synonyms: 4-Methyl-N-(4-nitrophenyl)-N-phenylbenzenamine, 4-methyl-N-(4-nitrophenyl)-N-phenylaniline, 4-nitro-4'-methyltriphenylamine, CTK5G3120, MolPort-020-002-231, ACN-S002628, ANW-53867, SBB068368, ZINC54965519, AKOS015915442, AG-H-62063, AK-88030, BD232223, KB-193343, FT-0657300, X4108, 4-methyl-N-(4-nitrophenyl)-N-phenyl-aniline, A843197, Benzenamine,4-methyl-N-(4-nitrophenyl)-N-phenyl-, I14-6440

Molecular Formula: C19H16N2O2Molecular Weight: 304.342540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LUNSHOIFFSFPAG-UHFFFAOYSA-N

• 4-nitro-L-phenylalanine
IUPAC Name: (2S)-2-amino-3-(4-nitrophenyl)propanoic acid | CAS Registry Number: 949-99-5
Synonyms: p-Nitrophenylalanine, L-4-Nitrophenylalanine, L-p-Nitrophenylalanine, 4-Nitro-L-phenylalanine, L-beta-Nitrophenylalanine, Maybridge1_006682, L-3-(p-Nitrophenyl)alanine, 4-Nitro-3-phenyl-L-alanine, L-Phenylalanine, 4-nitro-, EINECS 213-446-8, NSC 152925, BRN 2809673, L-Phenylalanine, 4-nitro- (9CI), RJC 02057, AL061-1, ALANINE, 3-(p-NITROPHENYL)-, L-, LS-16172, 4-14-00-01677 (Beilstein Handbook Reference)

Molecular Formula: C9H10N2O4Molecular Weight: 210.186700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GTVVZTAFGPQSPC-QMMMGPOBSA-N

• 4-Nitro-N,N-Di(4-Methoxyphenyl) Benzenamine
IUPAC Name: N,N-bis(4-methoxyphenyl)-4-nitroaniline | CAS Registry Number: 20440-91-9
Synonyms: 4-Methoxy-N-(4-methoxyphenyl)-N-(4-nitrophenyl)aniline, CTK4E4227, ACN-S002629, ANW-53868, ZINC55168593, AKOS015915362, AG-E-49883, 4,4'-Dimethoxy-4''-nitrotriphenylamine, AK-88029, BD232222, N,N-bis(4-methoxyphenyl)-4-nitroaniline, N,N-bis(4-methoxyphenyl)-4-nitro-aniline, 4-nitro-n,n-di(4-methoxyphenyl)benzenamine, KB-193620, 4-nitro-N,N-di(4-methoxyphenyl) benzenamine, ST51055411, Benzenamine,N,N-bis(4-methoxyphenyl)-4-nitro-, A814561, I14-6428, Triphenylamine,4,4'-dimethoxy-4''-nitro- (8CI);4-Nitro-N,N-di(4-methoxyphenyl)benzenamine;4,4'-Dimethoxy-4''-nitrotriphenylamine;

Molecular Formula: C20H18N2O4Molecular Weight: 350.367920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: IRTXFNPBVZYVOU-UHFFFAOYSA-N

• 4-Nitroacetophenone
IUPAC Name: 1-(4-nitrophenyl)ethanone | CAS Registry Number: 100-19-6
Synonyms: p-Nitroacetophenone, 4'-Nitroacetophenone, p-Acetylnitrobenzene, Paranitroacetophenone, Acetophenone, 4'-nitro-, PNAP, 4-NITROACETOPHENONE, p-Nitrophenyl methyl ketone, Ethanone, 1-(4-nitrophenyl)-, Methyl-p-nitrophenyl ketone, 1-(4-Nitrophenyl)ethanone, CCRIS 1676, N9608_ALDRICH, MLS002152933, EINECS 202-827-4, CID7487, NSC 41590, NSC41590, LS-296, ZINC00164801

Molecular Formula: C8H7NO3Molecular Weight: 165.146080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YQYGPGKTNQNXMH-UHFFFAOYSA-N

• 4-Nitrobenzoic acid
IUPAC Name: 4-nitrobenzoic acid | CAS Registry Number: 62-23-7
Synonyms: p-Nitrobenzoic acid, Nitrodracylic acid, Benzoic acid, 4-nitro-, 4-NITROBENZOIC ACID, Benzoic acid, p-nitro-, 4-Nitrodracylic acid, 1-Carboxy-4-nitrobenzene, PNBA, Kyselina p-nitrobenzoova, WLN: WNR DVQ, p-Nitrobenzenecarboxylic acid, CCRIS 1185, HSDB 2140, Kyselina p-nitrobenzoova [Czech], 461091_ALDRICH, NSC 7707, 72910_FLUKA, EINECS 200-526-2, CID6108, NSC7707

Molecular Formula: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OTLNPYWUJOZPPA-UHFFFAOYSA-N

• 4-NitroBenzonitrile
IUPAC Name: 4-nitrobenzonitrile | CAS Registry Number: 619-72-7
Synonyms: 4-Nitrobenzonitrile, p-Cyanonitrobenzene, Benzonitrile, 4-nitro-, 4-Cyanonitrobenzene, Benzonitrile, p-nitro-, P-NITROBENZONITRILE, CCRIS 2328, N12007_ALDRICH, NSC 5383, EINECS 210-610-0, NSC5383, STK051059, ZINC01680884, AI3-00478, LS-38764, TL8004002, InChI=1/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4

Molecular Formula: C7H4N2O2Molecular Weight: 148.118860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NKJIFDNZPGLLSH-UHFFFAOYSA-N

• 4-Nitrobenzoyl Chloride
IUPAC Name: 4-nitrobenzoyl chloride | CAS Registry Number: 122-04-3
Synonyms: 4-Nitrobenzoyl chloride, P-NITROBENZOYL CHLORIDE, Benzoyl chloride, 4-nitro-, Benzoyl chloride, p-nitro-, nchembio.87-comp28, p-Nitrobenzoic acid chloride, 4-Nitro-benzoyl chloride, 4-Nitrobenzoic acid chloride, Nitrobenzoyl chloride, 4-, PHENYLACETYL CHLORIDE, CCRIS 3136, 112208_ALDRICH, NSC 5381, 73120_FLUKA, 73122_FLUKA, EINECS 204-517-4, NSC5381, BRN 0473192, LS-661, ZINC01680883

Molecular Formula: C7H4ClNO3Molecular Weight: 185.564560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SKDHHIUENRGTHK-UHFFFAOYSA-N

• 4-Nitrobenzyl Chloride
IUPAC Name: 1-(chloromethyl)-4-nitrobenzene | CAS Registry Number: 100-14-1
Synonyms: 4-Nitrobenzyl chloride, p-Nitrobenzyl chloride, alpha-Chloro-4-nitrotoluene, p-(Chloromethyl)nitrobenzene, 4-(Chloromethyl)nitrobenzene, alpha-Chloro-p-nitrotoluene, para-nitrobenzyl chloride, Benzyl chloride, 4-nitro-, 1-(Chloromethyl)-4-nitrobenzene, Benzene, 1-(chloromethyl)-4-nitro-, CCRIS 2325, Toluene, .alpha.-chloro-p-nitro-, Toluene, alpha-chloro-p-nitro-, HSDB 6323, .alpha.-Chloro-p-nitrotoluene, 140112_ALDRICH, NSC 9803, 73185_FLUKA, EINECS 202-822-7, NSC9803

Molecular Formula: C7H6ClNO2Molecular Weight: 171.581040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KGCNHWXDPDPSBV-UHFFFAOYSA-N

• 4-Nitroindole
IUPAC Name: 4-nitro-1H-indole | CAS Registry Number: 4769-97-5
Synonyms: Indole, 4-nitro-, 4-Nitro-1H-indole, 1H-Indole, 4-nitro-, Maybridge1_006408, Oprea1_676916, 269964_ALDRICH, ZINC00082985, ST5406370, TL8003237, N-2980

Molecular Formula: C8H6N2O2Molecular Weight: 162.145440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LAVZKLJDKGRZJG-UHFFFAOYSA-N

• 4-Nitrophenylacetonitrile
IUPAC Name: 2-(4-nitrophenyl)acetonitrile | CAS Registry Number: 555-21-5
Synonyms: p-Nitrobenzyl cyanide, p-Nitrobenzylcyanide, 4-Nitrobenzyl cyanide, Lithium phenoxide, 4-Nitrobenzeneacetonitrile, Acetonitrile, (p-nitrophenyl)-, Benzeneacetonitrile, 4-nitro-, p-Nitrophenylacetonitrile, p-Nitrobenzeneacetonitrile, p-Nitro-alpha-tolunitrile, 4-Nitro-benzyl-cyanid, WLN: WNR D1CN, (p-Nitrophenyl)acetonitrile, (4-nitrophenyl)acetonitrile, {4-nitrophenyl}acetonitrile, (p-Nitrobenzene)acetonitrile, p-Nitro-.alpha.-tolunitrile, 4-Nitro-benzyl-cyanid [German], 151572_ALDRICH, NSC 5396

Molecular Formula: C8H6N2O2Molecular Weight: 162.145440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PXNJGLAVKOXITN-UHFFFAOYSA-N

• 4-Nitropyridine-N-Oxide
IUPAC Name: 4-nitro-1-oxidopyridin-1-ium | CAS Registry Number: 1124-33-0
Synonyms: p-Nitropyridine N-oxide, 4-Nitropyridine N-oxide, 4-Nitropyridine oxide, 4-Nitropyridine 1-oxide, Avitrol 100, 4-Nitropyridine-N-oxide, Caswell No. 604AA, Pyridine-1-oxide, 4-nitro-, WLN: T6NJ AO DNW, CCRIS 1207, PYRIDINE, 4-NITRO-, 1-OXIDE, HSDB 6415, 4-NITRO-N-OXOPYRIDINE, 346659_ALDRICH, NSC 5079, EINECS 214-395-4, NSC5079, AIDS160032, EPA Pesticide Chemical Code 597300, AIDS-160032

Molecular Formula: C5H4N2O3Molecular Weight: 140.096860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RXKNNAKAVAHBNK-UHFFFAOYSA-N

• 4-Phenyl-3-thiosemicarbazide
IUPAC Name: 1-amino-3-phenylthiourea | CAS Registry Number: 5351-69-9
Synonyms: Phenyl thiosemicarbazide, 4-PHENYLTHIOSEMICARBAZIDE, N-Phenylhydrazinecarbothioamide, Hydrazinecarbothioamide, N-phenyl-, WLN: ZMYUS&MR, 4-(Phenyl)thiosemicarbazide, USAF EL-45, Semicarbazide, 4-phenyl-3-thio-, USAF EK-5426, NSC 704, 131482_ALDRICH, ARONIS022581, NSC704, EINECS 226-329-1, NSC 58946, ALBB-002787, NSC58946, SBB007538, 4-PHENYL,3-THIO-SEMICARBAZIDE, AI3-00706

Molecular Formula: C7H9N3SMolecular Weight: 167.231460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 1

InChIKey: KKIGUVBJOHCXSP-UHFFFAOYSA-N

• 4-Phenylthio Benzyl Chloride
IUPAC Name: (4-phenylsulfanylphenyl)methanol | CAS Registry Number: 6317-56-2
Synonyms: p-(Phenylthio)benzyl alcohol, NSC43060, EINECS 228-658-6, ZINC01675834

Molecular Formula: C13H12OSMolecular Weight: 216.298780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PGOAWMRWDZJQTB-UHFFFAOYSA-N

• 4-Picoline
IUPAC Name: 4-methylpyridine | CAS Registry Number: 108-89-4
Synonyms: 4-METHYLPYRIDINE, p-Picoline, p-Methylpyridine, gamma-Picoline, Pyridine, 4-methyl-, 4-Pyridylmethyl, gamma-Methylpyridine, .gamma.-Picoline, 4-Mepy, .gamma.-Methylpyridine, 4-Picoline (8CI), Methyl, 4-pyridinyl-, 4-Pyridylmethyl radical, 4-Pyridylmethyl chloride, CCRIS 1723, NCIOpen2_007706, WLN: T6NJ D1, HSDB 5386, Ba 35846, 131490_ALDRICH

Molecular Formula: C6H7NMolecular Weight: 93.126480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FKNQCJSGGFJEIZ-UHFFFAOYSA-N

• 4-Sulfamoylphenyl hydrazine hydrochloride
IUPAC Name: 4-hydrazinylbenzenesulfonamide hydrochloride | CAS Registry Number: 17852-52-7
Synonyms: BTB 06645, FS003007, 4-Hydrazino-benzenesulfonamide hydrochloride, 3S110961

Molecular Formula: C6H10ClN3O2SMolecular Weight: 223.680500 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: IKEURONJLPUALY-UHFFFAOYSA-N

• 4-Tert-butyldiphenyl sulfide
IUPAC Name: 1-tert-butyl-4-phenylsulfanylbenzene | CAS Registry Number: 85609-03-6
Synonyms: 4-tert-Butyldiphenyl sulfide, 4-Tert-butyl diphenyl sulfide, PubChem9742, AGN-PC-008MHE, SureCN2754910, (p-t-Butylphenylthio)benzene, 4-tert-Butylphenylthiobenzene, MolPort-003-984-573, ZINC21303127, AKOS015898663, LS40499, RP28531, AC-16454, I362, TL8006824, B3484, FT-0619479, Benzene, 1-(1,1-dimethylethyl)-4-(phenylthio)-, I09-1504

Molecular Formula: C16H18SMolecular Weight: 242.379120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KGRAEJDVHXHGSQ-UHFFFAOYSA-N

• 4-Tertiary Butyl Phenol
IUPAC Name: 4-tert-butylphenol | CAS Registry Number: 98-54-4
Synonyms: Butylphen, 4-tert-Butylphenol, p-tert-Butylphenol, p-t-Butyl phenol, 4-t-Butylphenol, Phenol, p-tert-butyl-, p-sec-Butylphenol, p-terc.Butylfenol, PTBP, Ucar butylphenol 4-T, Caswell No. 130E, 4-(1,1-Dimethylethyl)phenol, 2-TERT-BUTYLPHENOL, Phenol, p-(tert-butyl)-, 4-tertiary-butylphenol, Ambap5870, Phenol, 4-(1,1-dimethylethyl)-, p-terc.Butylfenol [Czech], para-tertiary-butylphenol, Ucar butylphenol 4-T flake

Molecular Formula: C10H14OMolecular Weight: 150.217560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QHPQWRBYOIRBIT-UHFFFAOYSA-N

• 4-Tertiary Butyl Toluene
IUPAC Name: 1-tert-butyl-4-methylbenzene | CAS Registry Number: 98-51-1
Synonyms: p-tert-Butyltoluene, 4-tert-Butyltoluene, p-t-Butyltoluene, 8-Methylparacymene, PTBT, 1-tert-Butyl-4-methylbenzene, p-TBT, Toluene, p-tert-butyl-, p-Methyl-tert-butylbenzene, 4-Methyl-tert-butylbenzene, 4-T-BUTYLTOLUENE, 1-Methyl-4-tert-butylbenzene, 4-tert-Butyl-1-methylbenzene, CCRIS 4762, Benzene, 1-(1,1-dimethylethyl)-4-methyl-, HSDB 5008, B102628_ALDRICH, NSC 6589, EINECS 202-675-9, NSC6589

Molecular Formula: C11H16Molecular Weight: 148.244740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QCWXDVFBZVHKLV-UHFFFAOYSA-N

• 4-Trifluoromethyl diphenyl sulfide
IUPAC Name: 1-phenylsulfanyl-4-(trifluoromethyl)benzene | CAS Registry Number: 53451-90-4
Synonyms: PubChem10703, AGN-PC-00MKKH, SureCN4455809, 4-Trifluoromethyldiphenyl sulfide, MolPort-003-987-818, ZINC19615573, AKOS015898875, RP29063, AC-16460, U532, TL8006825, Benzene, 1-(phenylthio)-4-(trifluoromethyl)-, I09-1474

Molecular Formula: C13H9F3SMolecular Weight: 254.270770 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VBQZDUABIJNHRP-UHFFFAOYSA-N

• 4-Trifluoromethyl thioanisole
IUPAC Name: 1-methylsulfanyl-4-(trifluoromethyl)benzene | CAS Registry Number: 329-14-6
Synonyms: (4-(TRIFLUOROMETHYL)PHENYL)(METHYL)SULFANE, PubChem10529, SureCN695441, 4-Trifluoromethylthioanisole, CTK1C1943, ZINC19615578, AKOS006330963, AG-F-10446, AS04278, RP25167, I363, KB-72970, TL8007165, I09-1450, Sulfide,methyl a,a,a-trifluoro-p-tolyl (8CI);4-(Methylthio)benzotrifluoride;

Molecular Formula: C8H7F3SMolecular Weight: 192.201390 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VYGXLDXWNLTGIL-UHFFFAOYSA-N

• 4-trifluoromethyl thiobenzamide
IUPAC Name: 4-(trifluoromethyl)benzenecarbothioamide | CAS Registry Number: 72505-21-6
Synonyms: 4-(Trifluoromethyl)thiobenzamide, Maybridge1_006395, 4-(Trifluoromethyl)benzenecarbothioamide, ZINC00076923, RF 03219, T293, TL8005066

Molecular Formula: C8H6F3NSMolecular Weight: 205.200150 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IPRFNMJROWWFBH-UHFFFAOYSA-N

• 4-Trifluoromethyl thiophenol
IUPAC Name: 4-(trifluoromethyl)benzenethiol | CAS Registry Number: 825-83-2
Synonyms: 4-(Trifluoromethyl)thiophenol, TL 00292, TL8006773

Molecular Formula: C7H5F3SMolecular Weight: 178.174810 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WCMLRSZJUIKVCW-UHFFFAOYSA-N

• 4-trimethylsilyl-3-butyn-2-one
IUPAC Name: 6-methoxy-2,4-dimethyl-2,3-dihydrofuro[3,2-c]quinoline | CAS Registry Number: 5930-98-3
Synonyms: Oprea1_566612, Oprea1_675565, MLS000062138, STK005711, ZINC00245184, CID2877134, SMR000070412, 6-methoxy-2,4-dimethyl-2,3-dihydrofuro[3,2-c]quinoline

Molecular Formula: C14H15NO2Molecular Weight: 229.274400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MZPYLXKRBJRNSK-UHFFFAOYSA-N

• 5,6-Dimethyl Benzimidazole
IUPAC Name: 5,6-dimethyl-1H-benzimidazole | CAS Registry Number: 582-60-5
Synonyms: Dimedazole, Dimedazol, Dimesol, Dimezol, 5,6-Dimethylbenzimidazole, dimethylbenzimidazole, Dimezol base, nchembio.67-comp7, Benzimidazole, 5,6-dimethyl-, 5,6-Dimethyl-1H-benzimidazole, 1H-Benzimidazole, 5,6-dimethyl-, D147206_ALDRICH, ARONIS001284, 39580_FLUKA, CHEBI:15890, EINECS 209-488-1, NSC 68316, NSC68316, BRN 0116595, SBB004105

Molecular Formula: C9H10N2Molecular Weight: 146.189100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LJUQGASMPRMWIW-UHFFFAOYSA-N

• 5-Aminoindole
IUPAC Name: 1H-indol-5-amine | CAS Registry Number: 5192-03-0
Synonyms: 1H-Indol-5-amine, Indol-5-ylamine, 5-Indolamine, Indole, 5-amino-, A59654_ALDRICH, NSC61452, 08245_FLUKA, CHEBI:33067, CID78867, EINECS 225-977-2, NSC 61452, SBB004219, ZINC00153906, SDCCGMLS-0066200.P001, TL8003435, A-5640

Molecular Formula: C8H8N2Molecular Weight: 132.162520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZCBIFHNDZBSCEP-UHFFFAOYSA-N

• 5-Azacytosine
IUPAC Name: 6-amino-1H-1,3,5-triazin-2-one | CAS Registry Number: 931-86-2
Synonyms: s-Triazin-2-ol, 4-amino-, 4-Amino-1,3,5-triazin-2-one, 855049_ALDRICH, 2-Amino-4-hydroxy-sym-triazine, s-Triazin-2(1H)-one, 4-amino-, 11387_FLUKA, EINECS 213-242-9, 4-AMINO-S-TRIAZIN-2-OL, NSC 51100, NSC 54006, AIDS023084, 1,3,5-Triazin-2(1H)-one, 4-amino-, AIDS-023084, NSC51100, NSC54006, 4-Amino-1,3,5-triazin-2(1H)-one, ZINC01845522, LS-155640, TL8005911, A-9450

Molecular Formula: C3H4N4OMolecular Weight: 112.090060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: MFEFTTYGMZOIKO-UHFFFAOYSA-N

• 5-Azaindole
IUPAC Name: 1H-pyrrolo[3,2-c]pyridine | CAS Registry Number: 271-34-1
Synonyms: 5-AZAINDOLE, 1,5-Diazaindene, 3,7-Dideazapurine, Ambap2511, 1H-Pyrrolo(3,2-c)pyridine, BRN 0109684, LS-139470, TL8002193, A-9490, 5-23-06-00304 (Beilstein Handbook Reference), InChI=1/C7H6N2/c1-4-9-7-2-3-8-5-6(1)7/h1-5,9

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SRSKXJVMVSSSHB-UHFFFAOYSA-N


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