4-(Mercaptomethyl)benzoic acid

CAS Registry Number®

39088-65-8

CAS Name

4-(Mercaptomethyl)benzoic acid

Molecular Formula

C8H8O2S

Molecular Mass

168.21

Cite this Page

4-(Mercaptomethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39088-65-8 (retrieved 2024-12-19) (CAS RN: 39088-65-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    176 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H8O2S/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2,(H,9,10)

InChIKey

InChIKey=KCTZYAAHUYSVON-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC=C(CS)C=C1

Canonical SMILES

O=C(O)C1=CC=C(C=C1)CS

Other Names for this Substance

  • Benzoic acid, 4-(mercaptomethyl)-
  • p-Toluic acid, α-mercapto-
  • 4-(Mercaptomethyl)benzoic acid
  • 4-Mercaptomethylbenzoic acid

CAS INSIGHTSTM
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