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O-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 2, respectively.

Ancestors:

Organic compounds ⮕ Benzenoids ⮕ Benzene and substituted derivatives ⮕ Benzoic acids and derivatives ⮕ Sulfanylbenzoic acids and derivatives ⮕ O-sulfanylbenzoic acids and derivatives

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  1. 2-[(Carboxymethyl)thio]benzoic acid
    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
    Axitinib sulfoxide
    CAS: 1347304-18-0 EC Number: 886-850-0 PubChem CID: 86278350
    Out of Stock Item #: A1260088
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    Technical Identifiers
    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. 2-Methylthio-4-trifluoromethylbenzoic acid
    2-Methylthio-4-trifluoromethylbenzoic acid
    CAS: 142994-05-6 PubChem CID: 11085762 Formula: C9H7F3O2S Molecular Weight: 236.21
    ≥97%
    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)
  4. dimethyl 2，2'-dithiobisbenzoate - ≥97%, CAS No. 5459-63-2 by Aladdin Scientific
    dimethyl 2，2'-dithiobisbenzoate
    CAS: 5459-63-2 PubChem CID: 79574 Formula: C16H14O4S2 Molecular Weight: 334.42
    ≥97%
    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
  5. 2，2'-dithiobis[N-methylbenzamide] - ≥95% CAS No(2527-58-4) by Aladdin Scientific
    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)
  6. 2，2'-Disulfanediyldibenzamide
    2，2'-Disulfanediyldibenzamide
    CAS: 2527-57-3 PubChem CID: 72552 Formula: C14H12N2O2S2 Molecular Weight: 304.4
    ≥97%
    Out of Stock Item #: D694408
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    Pricing & Pack Sizes
    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)
  7. 2-[(3-Fluorobenzyl)sulfanyl]benzenecarboxylic acid
    2-[(3-Fluorobenzyl)sulfanyl]benzenecarboxylic acid
    CAS: 385383-44-8 PubChem CID: 2782977 Formula: C14H11FO2S Molecular Weight: 262.3
    ≥95%
    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)
  8. 2-(benzylsulfanyl)benzenecarboxylic acid
    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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    Pricing & Pack Sizes
    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)
  9. 2-((4-Chlorobenzyl)thio)benzoic acid
    2-((4-Chlorobenzyl)thio)benzoic acid
    CAS: 15887-84-0 PubChem CID: 738081 Formula: C14H11ClO2S Molecular Weight: 278.76
    ≥95%
    Out of Stock Item #: T690944
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    Pricing & Pack Sizes
    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)
  10. Thimerosal - PharmPure™,BP,Ph.Eur. CAS No(54-64-8) by Aladdin Scientific
    Thimerosal
    CAS: 54-64-8 EC Number: 200-210-4 PubChem CID: 16684434 Formula: C9H9HgNaO2S Molecular Weight: 404.81
    Solid PharmPure™ ? PharmPure™ — Aladdin's line of biopharmaceutical raw and starting materials. Use for pharma manufacturing inputs needing high purity and documentation. BP ? British Pharmacopoeia grade — conforms to BP monograph requirements. Use for pharmaceutical products marketed under UK/BP regulatory standards. Ph.Eur. ? European Pharmacopoeia grade — conforms to Ph.Eur. monographs across EU member states. Use for pharmaceutical work needing European compendial compliance.
    In Stock Item #: T485571
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    Technical Identifiers
    IUPAC Name
    sodium;(2-carboxylatophenyl)sulfanyl-ethylmercury
    SMILES
    CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+]
    InChIKey
    RTKIYNMVFMVABJ-UHFFFAOYSA-L
    InChI
    1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2
    Synonyms
    Mercury-([o-carboxyphenyl]thio)ethyl sodium salt | Sodium ethylmercurithiosalicylate
  11. RU-301
    RU-301
    CAS: 1110873-99-8 EC Number: 996-278-4 PubChem CID: 40135492 Formula: C21H19F3N4O4S Molecular Weight: 480.46
    10mM in DMSO
    In Stock Item #: R420616
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]benzamide
    SMILES
    CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]
    InChIKey
    BPHPWPNHNGXNPR-UHFFFAOYSA-N
    InChI
    1S/C21H19F3N4O4S/c1-13-10-15(32-27-13)12-33-19-5-3-2-4-16(19)20(29)26-9-8-25-17-7-6-14(21(22,23)24)11-18(17)28(30)31/h2-7,10-11,25H,8-9,12H2,1H3,(H,26show more
  12. RU-301
    RU-301
    CAS: 1110873-99-8 PubChem CID: 40135492 Formula: C21H19F3N4O4S Molecular Weight: 480.46
    ≥99%
    In Stock Item #: R412161
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]benzamide
    SMILES
    CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]
    InChIKey
    BPHPWPNHNGXNPR-UHFFFAOYSA-N
    InChI
    1S/C21H19F3N4O4S/c1-13-10-15(32-27-13)12-33-19-5-3-2-4-16(19)20(29)26-9-8-25-17-7-6-14(21(22,23)24)11-18(17)28(30)31/h2-7,10-11,25H,8-9,12H2,1H3,(H,26show more
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