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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  1. 4-(Methylsulfinyl)benzoic acid
    CAS: 33963-58-5 EC Number: 878-637-6 PubChem CID: 4961892 Formula: C8H8O3S Molecular Weight: 184.21
    Solid ≥95%
    Out of Stock Item #: B709392
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    Technical Identifiers
    IUPAC Name
    4-methylsulfinylbenzoic acid
    SMILES
    CS(=O)C1=CC=C(C=C1)C(=O)O
    InChIKey
    DTKRTQFUPNGBLZ-UHFFFAOYSA-N
    InChI
    1S/C8H8O3S/c1-12(11)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
  2. 4-((2-Hydroxyethyl)thio)benzoic acid
    CAS: 7184-99-8 PubChem CID: 607758 Formula: C9H10O3S Molecular Weight: 198.24
    Out of Stock Item #: T735263
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    IUPAC Name
    4-(2-hydroxyethylsulfanyl)benzoic acid
    SMILES
    C1=CC(=CC=C1C(=O)O)SCCO
    InChIKey
    NMWAITMVPVIPGG-UHFFFAOYSA-N
    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)
  3. Monepantel
    CAS: 887148-69-8 PubChem CID: 44449087 Formula: C20H13F6N3O2S Molecular Weight: 473.39
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    In Stock Item #: M648780
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    Synonyms
    AAD1566 | PPL-1
  4. 4-(Methylthio)benzoyl chloride
    CAS: 1442-06-4 Formula: C8H7ClOS Molecular Weight: 186.66
    Out of Stock Item #: M467118
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    IUPAC Name
    4-methylsulfanylbenzoyl chloride
    SMILES
    CSC1=CC=C(C=C1)C(=O)Cl
    InChIKey
    MIEJPWILCQAQKT-UHFFFAOYSA-N
    InChI
    1S/C8H7ClOS/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
    Synonyms
    4-methylsulfanylbenzoyl chloride | FT-0729470 | 4-(Methylthio)benzoyl chloride, 95% | J-007932 | benzoyl chloride, 4-...
  5. 4-Mercaptobenzoic acid(4-MBA)
    CAS: 1074-36-8 EC Number: 600-825-1 Formula: C7H6O2S Molecular Weight: 154.19
    Solid ≥99%
    In Stock Item #: M431355
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    Technical Identifiers
    IUPAC Name
    4-sulfanylbenzoic acid
    SMILES
    C1=CC(=CC=C1C(=O)O)S
    InChIKey
    LMJXSOYPAOSIPZ-UHFFFAOYSA-N
    InChI
    1S/C7H6O2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H,8,9)
    Synonyms
    4-Carboxythiophenol
  6. Methyl 4-mercaptobenzoate
    CAS: 6302-65-4 EC Number: 838-893-1 Formula: C8H8O2S Molecular Weight: 168.22
    Solid ≥95%
    Out of Stock Item #: M332887
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    Technical Identifiers
    IUPAC Name
    methyl 4-sulfanylbenzoate
    SMILES
    COC(=O)C1=CC=C(C=C1)S
    InChIKey
    BTZOMWXSWVOOHG-UHFFFAOYSA-N
    InChI
    1S/C8H8O2S/c1-10-8(9)6-2-4-7(11)5-3-6/h2-5,11H,1H3
    Synonyms
    DTXSID80285272 | WL1 | MFCD01863423 | FT-0647873 | p-(Carbomethoxy)benzenethiol | AKOS015995176 | NSC41242 | NSC-4124...
  7. Bis(4-carbomethoxyphenyl) Disulfide
    CAS: 35190-68-2 Formula: C16H14O4S2 Molecular Weight: 334.4
    In Stock Item #: B401623
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    IUPAC Name
    methyl 4-[(4-methoxycarbonylphenyl)disulfanyl]benzoate
    SMILES
    COC(=O)C1=CC=C(C=C1)SSC2=CC=C(C=C2)C(=O)OC
    InChIKey
    VGCZYLQMVYJBNY-UHFFFAOYSA-N
    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,1-2H3
    Synonyms
    35190-68-2|Dimethyl 4,4'-disulfanediyldibenzoate|bis(p-(mewthoxycarbonyl)phenyl)disulfide|methyl 4-[(4-methoxycarbony...
  8. 4-Mercaptobenzoic acid(4-MBA)
    CAS: 1074-36-8 EC Number: 600-825-1 Formula: C7H6O2S Molecular Weight: 154.19
    Solid ≥90%
    In Stock Item #: M100780
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    Technical Identifiers
    IUPAC Name
    4-sulfanylbenzoic acid
    SMILES
    C1=CC(=CC=C1C(=O)O)S
    InChIKey
    LMJXSOYPAOSIPZ-UHFFFAOYSA-N
    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...
  9. 4,4'-Dithiobisbenzoic Acid
    CAS: 1155-51-7 Formula: C14H10O4S2 Molecular Weight: 306.36
    In Stock Item #: D401613
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    IUPAC Name
    4-[(4-carboxyphenyl)disulfanyl]benzoic acid
    SMILES
    C1=CC(=CC=C1C(=O)O)SSC2=CC=C(C=C2)C(=O)O
    InChIKey
    GAMSSMZJKUMFEY-UHFFFAOYSA-N
    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
    NSC 210281 | GAMSSMZJKUMFEY-UHFFFAOYSA-N | A934437 | 4-Oxo-4-([2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-d...
  10. 2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid
    CAS: 5211-44-9 PubChem CID: 297543 Formula: C7H2F4O2S Molecular Weight: 226.14
    In Stock Item #: T162524
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    IUPAC Name
    2,3,5,6-tetrafluoro-4-sulfanylbenzoic acid
    SMILES
    C1(=C(C(=C(C(=C1F)F)S)F)F)C(=O)O
    InChIKey
    USFMEWZQIHKRDP-UHFFFAOYSA-N
    InChI
    1S/C7H2F4O2S/c8-2-1(7(12)13)3(9)5(11)6(14)4(2)10/h14H,(H,12,13)
  11. 4-(Trifluoromethylthio)benzoic acid
    CAS: 330-17-6 PubChem CID: 2777858 Formula: C8H5F3O2S Molecular Weight: 222.18
    In Stock Item #: T123714
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    Technical Identifiers
    IUPAC Name
    4-(trifluoromethylsulfanyl)benzoic acid
    SMILES
    C1=CC(=CC=C1C(=O)O)SC(F)(F)F
    InChIKey
    UMOGQQWVQUQTQA-UHFFFAOYSA-N
    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)...
  12. 4-(Methylthio)benzoic Acid
    CAS: 13205-48-6 EC Number: 236-171-5 Formula: C8H8O2S Molecular Weight: 168.21
    Solid ≥97%
    In Stock Item #: M158295
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    Technical Identifiers
    IUPAC Name
    4-methylsulfanylbenzoic acid
    SMILES
    CSC1=CC=C(C=C1)C(=O)O
    InChIKey
    KWHCPERWLHBLOT-UHFFFAOYSA-N
    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...
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