3-(Methylthio)benzoic acid

CAS Registry Number®

825-99-0
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CAS Name

3-(Methylthio)benzoic acid

Molecular Formula

C8H8O2S

Molecular Mass

168.21

Cite this Page

3-(Methylthio)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=825-99-0 (retrieved 2024-03-28) (CAS RN: 825-99-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H8O2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)

InChIKey

InChIKey=PZGADOOBMVLBJE-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC(SC)=CC=C1

Canonical SMILES

O=C(O)C=1C=CC=C(SC)C1

Other Names for this Substance

  • Benzoic acid, 3-(methylthio)-
  • Benzoic acid, m-(methylthio)-
  • Benzoic acid, m-methylmercapto-
  • 3-(Methylthio)benzoic acid
  • 3-Mercaptobenzoic acid S-methyl ether

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