CAS Registry Number: 68892-07-9

Name:

1H-​Imidazole-​4-​carboxylic acid, 2,​3-​dihydro-​3-​methyl-​2-​thioxo-​, methyl ester
Imidazole-​5-​carboxylic acid, 2-​mercapto-​1-​methyl-​, methyl ester (7CI); NSC 313360 

Chemical Formula: C6H8N2O2S
Exact Mass: 172.03
Molecular Weight: 172.20
m/z: 172.03 (100.0%), 173.03 (8.1%), 174.03 (5.0%)
Elemental Analysis: C, 41.85; H, 4.68; N, 16.27; O, 18.58; S, 18.62

InChI: InChI=1S/C6H8N2O2S/c1-8-4(5(9)10-2)3-7-6(8)11/h3H,1-2H3,(H,7,11)
InChIKey: MXRBCICJILKUCS-UHFFFAOYSA-N
Canonical SMILES : CN1C(=CNC1=S)C(=O)OC

Specification

98%

1. (1) Palma, Elisa; European Journal of Inorganic Chemistry 2002, (9), P2402-2407 CAPLUS
2. (2) Jones, Reuben G.; US 2541924 1951 CAPLUS
3. (3) Schneider, Friedhelm; Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie 1962, V327, P74-85 CAPLUS