CAS Registry Number: 850429-60-6

Name:

4-​Thiazolecarboxylic acid, 2-​amino-​5-​bromo-​, methyl ester
Methyl 2-​amino-​5-​bromothiazole-​4-​carboxylate 

Chemical Formula: C5H5BrN2O2S
Exact Mass: 235.93
Molecular Weight: 237.07
m/z: 237.92 (100.0%), 235.93 (98.2%), 236.93 (5.4%), 238.93 (5.3%), 239.92 (4.4%), 238.92 (1.7%), 236.92 (1.5%)
Elemental Analysis: C, 25.33; H, 2.13; Br, 33.70; N, 11.82; O, 13.50; S, 13.53

InChI: InChI=1S/C5H5BrN2O2S/c1-10-4(9)2-3(6)11-5(7)8-2/h1H3,(H2,7,8)
InChIKey: KVUHCAXYWHQFLW-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(SC(=N1)N)Br

Specification

98%

PCT Int. Appl. (2011), WO 2011095997 A1 20110811.                                 

PCT Int. Appl. (2010), WO 2010022125 A1 20100225.