Sulfanylbenzoic acids and derivatives

Description:

Benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring.

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  1. 2-[(Carboxymethyl)thio]benzoic acid
    CAS: 135-13-7 Formula: C9H8O4S Molecular Weight: 212.22
    Solid ≥96%
    In Stock Item #: O1369723
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    Technical Identifiers
    SMILES
    C1=CC=C(C(=C1)C(=O)O)SCC(=O)O
    InChI
    1S/C9H8O4S/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
  2. Axitinib sulfoxide
    CAS: 1347304-18-0 EC Number: 886-850-0 PubChem CID: 86278350
    Out of Stock Item #: A1260088
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    IUPAC Name
    N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfinyl]benzamide
    SMILES
    CNC(=O)C1=CC=CC=C1S(=O)C2=CC3=C(C=C2)C(=NN3)C=CC4=CC=CC=N4
    InChIKey
    MAHSNFBPPYMWFB-FMIVXFBMSA-N
    InChI
    1S/C22H18N4O2S/c1-23-22(27)18-7-2-3-8-21(18)29(28)16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
  3. 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)
  4. 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)
  5. 2-Methylthio-4-trifluoromethylbenzoic acid
    CAS: 142994-05-6 PubChem CID: 11085762 Formula: C9H7F3O2S Molecular Weight: 236.21
    Out of Stock Item #: M725526
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    Technical Identifiers
    IUPAC Name
    2-methylsulfanyl-4-(trifluoromethyl)benzoic acid
    SMILES
    CSC1=C(C=CC(=C1)C(F)(F)F)C(=O)O
    InChIKey
    VAFHTUOXGAZOQY-UHFFFAOYSA-N
    InChI
    1S/C9H7F3O2S/c1-15-7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)
  6. 2-Fluoro-5-(methylthio)benzoicacid
    CAS: 57318-98-6 PubChem CID: 15104105
    Out of Stock Item #: F728241
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    Technical Identifiers
    IUPAC Name
    2-fluoro-5-methylsulfanylbenzoic acid
    SMILES
    CSC1=CC(=C(C=C1)F)C(=O)O
    InChIKey
    RLUKYSZMWGKZMQ-UHFFFAOYSA-N
    InChI
    1S/C8H7FO2S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
  7. dimethyl 2,2'-dithiobisbenzoate
    CAS: 5459-63-2 PubChem CID: 79574 Formula: C16H14O4S2 Molecular Weight: 334.42
    Out of Stock Item #: D694670
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    Technical Identifiers
    IUPAC Name
    methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate
    SMILES
    COC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)OC
    InChIKey
    NECMWXVJIUGCSW-UHFFFAOYSA-N
    InChI
    1S/C16H14O4S2/c1-19-15(17)11-7-3-5-9-13(11)21-22-14-10-6-4-8-12(14)16(18)20-2/h3-10H,1-2H3
  8. 2,2'-Disulfanediylbis(N-methylbenzamide)
    CAS: 2527-58-4 EC Number: 219-768-5 PubChem CID: 75662 Formula: C16H16N2O2S2 Molecular Weight: 332.44
    Solid ≥95%
    Out of Stock Item #: D694509
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    Technical Identifiers
    IUPAC Name
    N-methyl-2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide
    SMILES
    CNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NC
    InChIKey
    JEVCLNJEBFWVPD-UHFFFAOYSA-N
    InChI
    1S/C16H16N2O2S2/c1-17-15(19)11-7-3-5-9-13(11)21-22-14-10-6-4-8-12(14)16(20)18-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
  9. 2,2'-Disulfanediyldibenzamide
    CAS: 2527-57-3 PubChem CID: 72552 Formula: C14H12N2O2S2 Molecular Weight: 304.4
    Out of Stock Item #: D694408
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    Technical Identifiers
    IUPAC Name
    2-[(2-carbamoylphenyl)disulfanyl]benzamide
    SMILES
    C1=CC=C(C(=C1)C(=O)N)SSC2=CC=CC=C2C(=O)N
    InChIKey
    OEEHSSKRJOGQMP-UHFFFAOYSA-N
    InChI
    1S/C14H12N2O2S2/c15-13(17)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
  10. 2-[(3-Fluorobenzyl)sulfanyl]benzenecarboxylic acid
    CAS: 385383-44-8 PubChem CID: 2782977 Formula: C14H11FO2S Molecular Weight: 262.3
    Out of Stock Item #: B701149
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    Technical Identifiers
    IUPAC Name
    2-[(3-fluorophenyl)methylsulfanyl]benzoic acid
    SMILES
    C1=CC=C(C(=C1)C(=O)O)SCC2=CC(=CC=C2)F
    InChIKey
    UFCGYCLSSJSOLK-UHFFFAOYSA-N
    InChI
    1S/C14H11FO2S/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8H,9H2,(H,16,17)
  11. 2-(benzylsulfanyl)benzenecarboxylic acid
    CAS: 1531-80-2 EC Number: 878-974-9 Formula: C14H12O2S Molecular Weight: 244.31
    Solid ≥95%
    Out of Stock Item #: B696962
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    Technical Identifiers
    IUPAC Name
    2-benzylsulfanylbenzoic acid
    SMILES
    C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)O
    InChIKey
    IQMZULGMADGDLC-UHFFFAOYSA-N
    InChI
    1S/C14H12O2S/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
  12. 2-((4-Chlorobenzyl)thio)benzoic acid
    CAS: 15887-84-0 PubChem CID: 738081 Formula: C14H11ClO2S Molecular Weight: 278.76
    Out of Stock Item #: T690944
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    Technical Identifiers
    IUPAC Name
    2-[(4-chlorophenyl)methylsulfanyl]benzoic acid
    SMILES
    C1=CC=C(C(=C1)C(=O)O)SCC2=CC=C(C=C2)Cl
    InChIKey
    XYLALGWPEGHXHS-UHFFFAOYSA-N
    InChI
    1S/C14H11ClO2S/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(16)17/h1-8H,9H2,(H,16,17)
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