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CAS Number: 39161-84-7
2-(4-mercaptophenyl)acetic acid

Structure

2-(4-mercaptophenyl)acetic acid
Name: 2-(4-mercaptophenyl)acetic acid
Synonyms:
General Information
Product Number: 39161847

CAS Registry Number 39161-84-7
Name:
Benzeneacetic acid, 4-​mercapto-
(4-Carboxymethyl)thiophenol
(4-Sulfanylphenyl)acetic acid
2-(4-Mercaptophenyl)acetic acid
4-Mercaptophenylacetic acid
p-Mercaptophenylacetic acid

 

Chemical Formula: C8H8O2S
Exact Mass: 168.02
Molecular Weight: 168.21
m/z: 168.02 (100.0%), 169.03 (8.8%), 170.02 (4.5%)

 

InChI:InChI=1S/C8H8O2S/c9-8(10)5-6-1-3-7(11)4-2-6/h1-4,11H,5H2,(H,9,10)

InChI Key:ORXSLDYRYTVAPC-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1CC(=O)O)S

Specification

98%

References
  1. (1) Johnson, Erik C. B.; Journal of the American Chemical Society 2006, V128(20), P6640-6646 CAPLUS
  2. (2) Gough, Jonathan D.; Bioorganic & Medicinal Chemistry Letters 2005, V15(3), P777-781 CAPLUS
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