3-(Phenylthio)benzoic acid

CAS Registry Number®

5537-72-4
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CAS Name

3-(Phenylthio)benzoic acid

Molecular Formula

C13H10O2S

Molecular Mass

230.28

Cite this Page

3-(Phenylthio)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5537-72-4 (retrieved 2024-09-09) (CAS RN: 5537-72-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    108-109 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H10O2S/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)

InChIKey

InChIKey=WMPJADCISOEVQV-UHFFFAOYSA-N

SMILES

S(C1=CC(C(O)=O)=CC=C1)C2=CC=CC=C2

Canonical SMILES

O=C(O)C=1C=CC=C(SC=2C=CC=CC2)C1

Other Names for this Substance

  • Benzoic acid, 3-(phenylthio)-
  • Benzoic acid, m-(phenylthio)-
  • 3-(Phenylthio)benzoic acid
  • m-(Phenylthio)benzoic acid
  • NSC 113994