2-[(Carboxymethyl)thio]benzoic acid

CAS Registry Number®

135-13-7

CAS Name

2-[(Carboxymethyl)thio]benzoic acid

Molecular Formula

C9H8O4S

Molecular Mass

212.22

Cite this Page

2-[(Carboxymethyl)thio]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=135-13-7 (retrieved 2024-11-22) (CAS RN: 135-13-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    215 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8O4S/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)

InChIKey

InChIKey=GMBZSYUPMWCDGK-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C=1C=CC=CC1SCC(=O)O

Other Names for this Substance

  • Benzoic acid, 2-[(carboxymethyl)thio]-
  • Benzoic acid, o-[(carboxymethyl)thio]-
  • Benzoic acid, o-(carboxymethylmercapto)-
  • 2-[(Carboxymethyl)thio]benzoic acid
  • o-[(Carboxymethyl)thio]benzoic acid

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