CAS Registry Number: 908355-83-9

Name:

2(3H)​-​Benzothiazolethione, 7-​bromo-
7-​Bromo-​2-​mercaptobenzothiazol​e 

Chemical Formula: C7H4BrNS2
Exact Mass: 244.90
Molecular Weight: 246.15
m/z: 246.89 (100.0%), 244.90 (94.1%), 245.90 (8.7%), 248.89 (8.5%), 247.90 (7.6%), 247.89 (1.9%)

InChI: InChI=1S/C7H4BrNS2/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,(H,9,10)
InChIKey: YMKOWNRHWXMBKS-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C(=C1)Br)SC(=S)N2

Specification

98%

1. (1) Zhang, Lin; Journal of Medicinal Chemistry 2006, V49(17), P5352-5362 CAPLUS