CAS Registry Number: 2818-66-8

Name:

2H-​Benzimidazole-​2-​thione, 5-​amino-​1,​3-​dihydro-
2-​Benzimidazolethiol, 5(or 6)​-​amino- (6CI,​7CI); 2-​Benzimidazolethiol, 5-​amino- (8CI); 2-​Mercapto-​1H-​benzo[d]​imidazol-​5-​amine; 5-​Amino-​1H-​benzo[d]​imidazole-​2-​thiol; 5-​Amino-​2-​benzimidazolethiol; 5-​Amino-​2-​mercaptobenzimidazol​e; 6-​Amino-​2-​mercaptobenzimidazol​e; NSC 3984 

Chemical Formula: C7H7N3S
Exact Mass: 165.04
Molecular Weight: 165.22
m/z: 165.04 (100.0%), 166.04 (8.5%), 167.03 (4.5%), 166.03 (1.1%)

InChI: InChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)
InChIKey: BXDMTLVCACMNJO-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=C1N)NC(=S)N2

Specification

98%

(1) Hu, Pi; Yaoxue Xuebao 1959, V7, P222-7 CAPLUS
(2) Cereda, Enzo; European Journal of Medicinal Chemistry 1987, V22(6), P527-37 CAPLUS