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CAS Number: 86792-71-4
2-methylbenzo[b]thiophene-5-carboxylic acid

Structure

 2-methylbenzo[b]thiophene-5-carboxylic acid
Name: 2-methylbenzo[b]thiophene-5-carboxylic acid
Synonyms:
General Information
Product Number: 86792714

CAS Registry Number 86792-71-4
Name:
Benzo[b]?thiophene-?5-?carboxylic acid, 2-?methyl-

 

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

InChI Key:APSXOACQRGXISO-UHFFFAOYSA-N

Canonical SMILES:CC1=CC2=C(S1)C=CC(=C2)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 220-222 °C Solv: ethanol (64-17-5); water (7732-18-5) (2)IC
Melting Point 205-206 °C   (1)IC

Specification

98%
References
  1. (1) Datta, Sumana; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1989, (3), P603-7 CAPLUS
  2. (2) Cross, Peter E.; Journal of Medicinal Chemistry 1986, V29(9), P1643-50 CAPLUS
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