2-[(Phenylthio)methyl]benzoic acid

CAS Registry Number®

1699-03-2
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CAS Name

2-[(Phenylthio)methyl]benzoic acid

Molecular Formula

C14H12O2S

Molecular Mass

244.31

Cite this Page

2-[(Phenylthio)methyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1699-03-2 (retrieved 2024-06-26) (CAS RN: 1699-03-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    111-113 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H12O2S/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)

InChIKey

InChIKey=QXPRAGVOCILNHG-UHFFFAOYSA-N

SMILES

C(SC1=CC=CC=C1)C2=C(C(O)=O)C=CC=C2

Canonical SMILES

O=C(O)C=1C=CC=CC1CSC=2C=CC=CC2

Other Names for this Substance

  • Benzoic acid, 2-[(phenylthio)methyl]-
  • o-Toluic acid, α-(phenylthio)-
  • 2-[(Phenylthio)methyl]benzoic acid
  • 2-(Phenylthiomethyl)benzoic acid
  • α-(Phenylthio)-o-toluic acid

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