CAS Registry Number: 54404-01-2

Name:

Benzenethiol, 2-​bromo-​4-​chloro-
2-​Bromo-​4-​chlorobenzenethiol 

Chemical Formula: C6H4BrClS
Exact Mass: 221.89
Molecular Weight: 223.52
m/z: 223.89 (100.0%), 221.89 (74.7%), 225.89 (23.3%), 224.89 (7.3%), 222.89 (5.4%), 225.88 (4.4%), 226.89 (1.8%), 227.88 (1.1%)

InChI: InChI=1S/C6H4BrClS/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
InChIKey: DOENFIYZEDUWRR-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1Cl)Br)S

Specification

98%

1. (1) GB 791190 1958 CAPLUS
2. (2) Saggiomo, Andrew J.; Journal of Organic Chemistry 1958, V23, P1906-9 CAPLUS