CAS Registry Number: 913836-22-3

Name:

4-​Thiazolecarboxylic acid, 5-​bromo-​, methyl ester
Methyl 5-​bromo-​1,​3-​thiazole-​4-​carboxylate; Methyl 5-​bromothiazole-​4-​carboxylate 

Chemical Formula: C5H4BrNO2S
Exact Mass: 220.91
Molecular Weight: 222.06
m/z: 222.91 (100.0%), 220.91 (98.2%), 221.92 (5.4%), 223.92 (5.3%), 224.91 (4.4%), 223.91 (1.4%), 221.91 (1.1%)
Elemental Analysis: C, 27.04; H, 1.82; Br, 35.98; N, 6.31; O, 14.41; S, 14.44

InChI: InChI=1S/C5H4BrNO2S/c1-9-5(8)3-4(6)10-2-7-3/h2H,1H3
InChIKey: AUJMFWXVFMHABB-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(SC=N1)Br

Specification

98%

PCT Int. Appl. (2013), WO 2013114332 A1 20130808.

PCT Int. Appl. (2013), WO 2013086451 A2 20130613.