3-Mercaptobenzenebutanoic acid

CAS Registry Number®

359436-80-9

CAS Name

3-Mercaptobenzenebutanoic acid

Molecular Formula

C10H12O2S

Molecular Mass

196.27

Cite this Page

3-Mercaptobenzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=359436-80-9 (retrieved 2024-11-22) (CAS RN: 359436-80-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H12O2S/c11-10(12)6-2-4-8-3-1-5-9(13)7-8/h1,3,5,7,13H,2,4,6H2,(H,11,12)

InChIKey

InChIKey=VWVUFEAWFARFEF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CCCC=1C=CC=C(S)C1

Other Names for this Substance

  • Benzenebutanoic acid, 3-mercapto-
  • 3-Mercaptobenzenebutanoic acid