2-Mercaptobenzenebutanoic acid

CAS Registry Number®

359436-78-5
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CAS Name

2-Mercaptobenzenebutanoic acid

Molecular Formula

C10H12O2S

Molecular Mass

196.27

Cite this Page

2-Mercaptobenzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=359436-78-5 (retrieved 2024-05-02) (CAS RN: 359436-78-5).  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)7-3-5-8-4-1-2-6-9(8)13/h1-2,4,6,13H,3,5,7H2,(H,11,12)

InChIKey

InChIKey=BMULCLHAQQPWSF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CCCC=1C=CC=CC1S

Other Names for this Substance

  • Benzenebutanoic acid, 2-mercapto-
  • 2-Mercaptobenzenebutanoic acid

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