4-(Methylthio)benzoic acid

CAS Registry Number®

13205-48-6
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CAS Name

4-(Methylthio)benzoic acid

Molecular Formula

C8H8O2S

Molecular Mass

168.21

Cite this Page

4-(Methylthio)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=13205-48-6 (retrieved 2024-04-29) (CAS RN: 13205-48-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    193-196 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=KWHCPERWLHBLOT-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-(methylthio)-
  • Benzoic acid, p-(methylthio)-
  • 4-(Methylthio)benzoic acid
  • p-(Methylthio)benzoic acid
  • p-Carboxyphenyl methyl sulfide

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