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CAS Number: 58089-25-1
2-thioxo-2,3-dihydro-1H-benzo[d]imidazole-5-carboxylic acid

Structure

 2-thioxo-2,3-dihydro-1H-benzo[d]imidazole-5-carboxylic acid
Name: 2-thioxo-2,3-dihydro-1H-benzo[d]imidazole-5-carboxylic acid
Synonyms:
General Information
Product Number: 58089251

CAS Registry Number 58089-25-1
Name:
1H-?Benzimidazole-?5-?carboxylic acid, 2,?3-?dihydro-?2-?thioxo-
2,3-Dihydro-2-thioxo-1H-benzimidazole-5-carboxylic acid
2-Mercapto-1H-benzimidazole-5-carboxylic acid
2-Mercaptobenzimidazole-5-carboxylic acid
5-Carboxy-2-mercaptobenzimidazole

 

Chemical Formula: C8H6N2O2S
Exact Mass: 194.01
Molecular Weight: 194.21
m/z: 194.01 (100.0%), 195.02 (8.8%), 196.01 (4.5%), 195.01 (1.5%)

 

InChI:InChI=1S/C8H6N2O2S/c11-7(12)4-1-2-5-6(3-4)10-8(13)9-5/h1-3H,(H,11,12)(H2,9,10,13)

InChI Key:DCRZVUIGGYMOBI-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1C(=O)O)NC(=S)N2

 

Thermal Properties Value Condition Note
Melting Point >290 °C Solv: ethanol (64-17-5); water (7732-18-5) (1)IC

Specification

98%
References
  1. (1) Tanaka, Kenjiro; Chemical & Pharmaceutical Bulletin 1981, V29(7), P1876-86 CAPLUS
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