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M-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 3, respectively.
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6 Items

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  1. 2-Fluoro-5-(methylthio)benzoicacid
      Grade & Purity: 
    • ≥98%
    Cas Number: 57318-98-6        Compound CID:  15104105
    IUPAC Name:  2-fluoro-5-methylsulfanylbenzoic acid
    SMILES:  CSC1=CC(=C(C=C1)F)C(=O)O
    InChIKey: RLUKYSZMWGKZMQ-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H7FO2S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
  2. 3,3'-Disulfanediyldibenzoic acid
      Grade & Purity: 
    • ≥98%
    Cas Number: 1227-49-2        EC Number: 602-892-2
    Formula:  C14H10O4S2        Molecular Weight: 306.36
    IUPAC Name:  3-[(3-carboxyphenyl)disulfanyl]benzoic acid
    SMILES:  C1=CC(=CC(=C1)SSC2=CC=CC(=C2)C(=O)O)C(=O)O
    InChIKey: GFUOAUHUTVPUIJ-UHFFFAOYSA-N
    InChI:  InChI=1S/C14H10O4S2/c15-13(16)9-3-1-5-11(7-9)19-20-12-6-2-4-10(8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)
    Synonyms: Benzoicacid, 3,3'-dithiobis- | AKOS015898874 | AKOS015969034 | F9995-1162 | SCHEMBL69064 | YSCK0325 | NCIStruc1_00135...
  3. 3-(Methylthio)benzoic Acid
      Grade & Purity: 
    • ≥98%(GC)
    Cas Number: 825-99-0
    Formula:  C8H8O2S        Molecular Weight: 168.21
    IUPAC Name:  3-methylsulfanylbenzoic acid
    SMILES:  CSC1=CC=CC(=C1)C(=O)O
    InChIKey: PZGADOOBMVLBJE-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H8O2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
    Synonyms: 3-BROMO-N-HYDROXYBENZENECARBOXYMIDOYLCHLORIDE | 3-(Methylsulfanyl)benzoic acid # | Benzoic acid, 3-(methylthio)- | NS...
  4. 3-(Difluoromethylthio)benzoylchloride
      Grade & Purity: 
    • ≥95%
    Cas Number: 261944-16-5
    Formula:  C8H5ClF2OS        Molecular Weight: 222.64
    IUPAC Name:  3-(difluoromethylsulfanyl)benzoyl chloride
    SMILES:  C1=CC(=CC(=C1)SC(F)F)C(=O)Cl
    InChIKey: RLWSFTJAJPGBMY-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H5ClF2OS/c9-7(12)5-2-1-3-6(4-5)13-8(10)11/h1-4,8H
    Synonyms: 3-(Difluoromethylthio)Benzoyl Chloride|261944-16-5|3-(difluoromethylsulfanyl)benzoyl chloride|3-((Difluoromethyl)thio...
  5. 2-Chloro-5-(methylthio)benzoic acid
      Grade & Purity: 
    • ≥96%
    Cas Number: 51546-12-4
    Formula:  C8H7ClO2S        Molecular Weight: 202.66
    IUPAC Name:  2-chloro-5-methylsulfanylbenzoic acid
    SMILES:  CSC1=CC(=C(C=C1)Cl)C(=O)O
    InChIKey: HJDZJDJRUVAYTR-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H7ClO2S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
    Synonyms: 2-CHLORO-5-(METHYLTHIO)BENZOICACID | A7601 | 2-Chloro-5-(methylthio)benzoic acid, technical grade, 96% | 2-Chloro-5-(...
  6. 3-Mercaptobenzoic acid
      Grade & Purity: 
    • ≥96%
    Cas Number: 4869-59-4
    Formula:  HSC6H4CO2H        Molecular Weight: 154.19
    IUPAC Name:  3-sulfanylbenzoic acid
    SMILES:  C1=CC(=CC(=C1)S)C(=O)O
    InChIKey: RSFDFESMVAIVKO-UHFFFAOYSA-N
    InChI:  InChI=1S/C7H6O2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,10H,(H,8,9)
    Synonyms: 3-Mercaptobenzoic acid | 3-Mercapto-benzoic acid | J-512740 | 3-sulfanylbenzoic acid | MFCD00238636 | DTXSID10873222 ...
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