CAS Registry Number: 23799-61-3

Name:

Benzo[b]​thiophene-​3-​acetonitrile, 5-​bromo-
(5-​Bromobenzothien-​3-​yl)​acetonitrile; 5-​Bromobenzo[b]​thiophene-​3-​acetonitrile 

Chemical Formula: C10H6BrNS
Exact Mass: 250.94
Molecular Weight: 252.13
m/z: 252.94 (100.0%), 250.94 (98.1%), 253.94 (12.0%), 251.94 (11.8%), 254.93 (4.3%)

InChI: InChI=1S/C10H6BrNS/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6H,3H2
InChIKey: FXPSKDXIAHKGJM-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=C1Br)C(=CS2)CC#N

Specification

98%

PCT Int. Appl. (2014), WO 2014113485 A1 20140724.

PCT Int. Appl. (1998), WO 9815545 A1 19980416.