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P-sulfanylbenzoic acids and derivatives
Description:
Benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, respectively.
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4-(Methylsulfinyl)benzoic acidCas Number: 33963-58-5 Compound CID: 4961892Formula: C8H8O3S Molecular Weight: 184.21IUPAC Name: 4-methylsulfinylbenzoic acidSMILES: CS(=O)C1=CC=C(C=C1)C(=O)OInChIKey: DTKRTQFUPNGBLZ-UHFFFAOYSA-NInChI: InChI=1S/C8H8O3S/c1-12(11)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10) -
4-((2-Hydroxyethyl)thio)benzoic acidCas Number: 7184-99-8 Compound CID: 607758Formula: C9H10O3S Molecular Weight: 198.24IUPAC Name: 4-(2-hydroxyethylsulfanyl)benzoic acidSMILES: C1=CC(=CC=C1C(=O)O)SCCOInChIKey: NMWAITMVPVIPGG-UHFFFAOYSA-NInChI: InChI=1S/C9H10O3S/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2,(H,11,12)
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MonepantelCas Number: 887148-69-8 Compound CID: 44449087Formula: C20H13F6N3O2S Molecular Weight: 473.39SMILES: C[C@@](COC1=C(C=CC(=C1)C#N)C(F)(F)F)(C#N)NC(=O)C2=CC=C(C=C2)SC(F)(F)FSynonyms: AAD1566 | PPL-1
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4-(Methylthio)benzoyl chlorideCas Number: 1442-06-4Formula: C8H7ClOS Molecular Weight: 186.66IUPAC Name: 4-methylsulfanylbenzoyl chlorideSMILES: CSC1=CC=C(C=C1)C(=O)ClInChIKey: MIEJPWILCQAQKT-UHFFFAOYSA-NInChI: InChI=1S/C8H7ClOS/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3Synonyms: 4-methylsulfanylbenzoyl chloride | FT-0729470 | 4-(Methylthio)benzoyl chloride, 95% | J-007932 | benzoyl chloride, 4-...
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4-Mercaptobenzoic acidCas Number: 1074-36-8Formula: C7H6O2S Molecular Weight: 154.19IUPAC Name: 4-sulfanylbenzoic acidSMILES: C1=CC(=CC=C1C(=O)O)SInChIKey: LMJXSOYPAOSIPZ-UHFFFAOYSA-NInChI: InChI=1S/C7H6O2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H,8,9)Synonyms: 4-Carboxythiophenol
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Methyl4-mercaptobenzoateCas Number: 6302-65-4Formula: C8H8O2S Molecular Weight: 168.22IUPAC Name: methyl 4-sulfanylbenzoateSMILES: COC(=O)C1=CC=C(C=C1)SInChIKey: BTZOMWXSWVOOHG-UHFFFAOYSA-NInChI: InChI=1S/C8H8O2S/c1-10-8(9)6-2-4-7(11)5-3-6/h2-5,11H,1H3Synonyms: DTXSID80285272 | WL1 | MFCD01863423 | FT-0647873 | p-(Carbomethoxy)benzenethiol | AKOS015995176 | NSC41242 | NSC-4124...
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Bis(4-carbomethoxyphenyl) DisulfideCas Number: 35190-68-2Formula: C16H14O4S2 Molecular Weight: 334.4IUPAC Name: methyl 4-[(4-methoxycarbonylphenyl)disulfanyl]benzoateSMILES: COC(=O)C1=CC=C(C=C1)SSC2=CC=C(C=C2)C(=O)OCInChIKey: VGCZYLQMVYJBNY-UHFFFAOYSA-NInChI: InChI=1S/C16H14O4S2/c1-19-15(17)11-3-7-13(8-4-11)21-22-14-9-5-12(6-10-14)16(18)20-2/h3-10H,1-2H3Synonyms: 35190-68-2|Dimethyl 4,4'-disulfanediyldibenzoate|bis(p-(mewthoxycarbonyl)phenyl)disulfide|methyl 4-[(4-methoxycarbony...
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4-Mercaptobenzoic acidCas Number: 1074-36-8Formula: C7H6O2S Molecular Weight: 154.19IUPAC Name: 4-sulfanylbenzoic acidSMILES: C1=CC(=CC=C1C(=O)O)SInChIKey: LMJXSOYPAOSIPZ-UHFFFAOYSA-NInChI: InChI=1S/C7H6O2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H,8,9)Synonyms: 4-mercaptobenzenecarboxylic acid | STR03027 | p-Mercaptobenzoic acid | NSC32022 | NSC-32022 | Benzoic acid, 4-mercapt...
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4,4'-Dithiobisbenzoic AcidCas Number: 1155-51-7Formula: C14H10O4S2 Molecular Weight: 306.36IUPAC Name: 4-[(4-carboxyphenyl)disulfanyl]benzoic acidSMILES: C1=CC(=CC=C1C(=O)O)SSC2=CC=C(C=C2)C(=O)OInChIKey: GAMSSMZJKUMFEY-UHFFFAOYSA-NInChI: InChI=1S/C14H10O4S2/c15-13(16)9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)Synonyms: 4,4'-Dithiobisbenzoic acid|1155-51-7|4-[(4-carboxyphenyl)disulfanyl]benzoic acid|4,4'-disulfanediyldibenzoic acid|4,4...
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2,3,5,6-Tetrafluoro-4-mercaptobenzoic AcidCas Number: 5211-44-9 Compound CID: 297543Formula: C7H2F4O2S Molecular Weight: 226.14IUPAC Name: 2,3,5,6-tetrafluoro-4-sulfanylbenzoic acidSMILES: C1(=C(C(=C(C(=C1F)F)S)F)F)C(=O)OInChIKey: USFMEWZQIHKRDP-UHFFFAOYSA-NInChI: InChI=1S/C7H2F4O2S/c8-2-1(7(12)13)3(9)5(11)6(14)4(2)10/h14H,(H,12,13)
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4-(Trifluoromethylthio)benzoic acidCas Number: 330-17-6 Compound CID: 2777858Formula: C8H5F3O2S Molecular Weight: 222.18IUPAC Name: 4-(trifluoromethylsulfanyl)benzoic acidSMILES: C1=CC(=CC=C1C(=O)O)SC(F)(F)FInChIKey: UMOGQQWVQUQTQA-UHFFFAOYSA-NInChI: InChI=1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)Synonyms: 4-((Trifluoromethyl)thio)benzoicacid | 4-[(trifluoromethyl)sulfanyl]benzoic acid | Benzoic acid, 4-[(trifluoromethyl)...
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4-(Methylthio)benzoic AcidCas Number: 13205-48-6Formula: C8H8O2S Molecular Weight: 168.21IUPAC Name: 4-methylsulfanylbenzoic acidSMILES: CSC1=CC=C(C=C1)C(=O)OInChIKey: KWHCPERWLHBLOT-UHFFFAOYSA-NInChI: InChI=1S/C8H8O2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)Synonyms: 4-methylsulfanylbenzoic acid | 4-methylsulfanyl-benzoic acid | AS-49312 | 4-(Methylthio)benzoic acid, 97% | Q4SWG87DX...
