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CAS Number: 2084-24-4
5-methylbenzo[b]thiophene-3-carboxylic acid

Structure

5-methylbenzo[b]thiophene-3-carboxylic acid
Name: 5-methylbenzo[b]thiophene-3-carboxylic acid
Synonyms:
General Information
Product Number: 2084244

CAS Registry Number 2084-24-4
Name:
Benzo[b]?thiophene-?3-?carboxylic acid, 5-?methyl-
3-Carboxy-5-methylbenzo[b]thiophene

 

Chemical Formula: C10H8O2S
Exact Mass: 192.02
Molecular Weight: 192.23
m/z: 192.02 (100.0%), 193.03 (11.0%), 194.02 (4.5%), 194.03 (1.0%)

 

InChI:InChI=1S/C10H8O2S/c1-6-2-3-9-7(4-6)8(5-13-9)10(11)12/h2-5H,1H3,(H,11,12)

InChI Key:QDDGDCHXGAATCK-UHFFFAOYSA-N

Canonical SMILES:CC1=CC2=C(C=C1)SC=C2C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 211-212 °C Solv: methanol (67-56-1); water (7732-18-5) (1)IC
Melting Point 172.0-172.5 °C   (2)CAS

Specification

98%

References
  1. (1) Hannoun, Mohammad; Journal of Heterocyclic Chemistry 1982, V19(5), P1131-6 CAPLUS
  2. (2) Matsuki, Yasuo; Nippon Kagaku Zasshi 1965, V86(1), P99-102 CAPLUS
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