CAS Registry Number: 744985-64-6

Name:

Benzo[b]​thiophene-​3-​methanamine, 5-​bromo-

Chemical Formula: C9H8BrNS
Exact Mass: 240.96
Molecular Weight: 242.14
m/z: 242.95 (100.0%), 240.96 (98.2%), 241.96 (10.4%), 243.96 (9.8%), 244.95 (4.4%), 243.95 (1.1%)

InChI: InChI=1S/C9H8BrNS.ClH/c10-7-1-2-9-8(3-7)6(4-11)5-12-9;/h1-3,5H,4,11H2;1H
InChIKey: FNRMMKSEZJLOTG-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=C1Br)C(=CS2)CN.Cl

Specification

98%

PCT Int. Appl. (2008), WO 2009000878 A1 20081231.                                 

Journal of Computer-Aided Molecular Design (2012), 26(5), 583-594.