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CAS Number: 17375-82-5
2-methylbenzo[b]thiophene-3-carboxylic acid

Structure

 2-methylbenzo[b]thiophene-3-carboxylic acid
Name: 2-methylbenzo[b]thiophene-3-carboxylic acid
Synonyms:
General Information
Product Number: 17375825

CAS Registry Number 17375-82-5
Name:
Benzo[b]?thiophene-?3-?carboxylic acid, 2-?methyl-
2-Methyl-1-benzothiophene-3-carboxylic acid
2-Methylbenzo[b]thiophene-3-carboxylic acid
2-Methylbenzo[d]thiophene-3-carboxylic acid
2-Methylbenzothiophene-3-carboxylic acid

 

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

InChI Key:AFUYTLSLJWHYSV-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C2=CC=CC=C2S1)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 195.8-196.4 °C   (1)CAS
Melting Point 194-195 °C   (2)CAS
Melting Point 188-190 °C   (3)CAS

Specification

98%
References
  1. (1) Gaertner, Russell; Journal of the American Chemical Society 1952, V74, P766-7 CAPLUS
  2. (2) Shirley, David A.; Journal of the American Chemical Society 1953, V75, P3278-80 CAPLUS
  3. (3) Sauter, Fritz; Monatshefte fuer Chemie 1967, V98(5), P2089-96 CAPLUS
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