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CAS Number: 63271-86-3
2-(3-mercaptophenyl)acetic acid

Structure

2-(3-mercaptophenyl)acetic acid
Name: 2-(3-mercaptophenyl)acetic acid
Synonyms:
General Information
Product Number: 63271863

CAS Registry Number 63271-86-3
Name:
Benzeneacetic acid, 3-​mercapto-
2-(3-Mercaptophenyl)acetic acid
3-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)5-6-2-1-3-7(11)4-6/h1-4,11H,5H2,(H,9,10)

InChI Key:BIPWQAXQJQOPHM-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 106-108 °C   (1)IC
Melting Point 104-105 °C Solv: ethanol, 33% (64-17-5) (2)CAS

Specification

98%

References
  1. (1) Tagawa, Hiroaki; Chemical & Pharmaceutical Bulletin 1978, V26(5), P1384-93 CAPLUS
  2. (2) Elderfield, Robert C.; Journal of the American Chemical Society 1960, V82, P1975-81 CAPLUS
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