CAS Registry Number: 306937-37-1

Name:

4-​Thiazoleacetic acid, 2,​5-​dimethyl-​, methyl ester

Chemical Formula: C8H11NO2S
Exact Mass: 185.05
Molecular Weight: 185.24
m/z: 185.05 (100.0%), 186.05 (9.8%), 187.05 (4.6%)
Elemental Analysis: C, 51.87; H, 5.99; N, 7.56; O, 17.27; S, 17.31

InChI: InChI=1S/C8H11NO2S/c1-5-7(4-8(10)11-3)9-6(2)12-5/h4H2,1-3H3
InChIKey: AUEJOXGQRQYLDJ-UHFFFAOYSA-N
Canonical SMILES : CC1=C(N=C(S1)C)CC(=O)OC

Specification

98%

PCT Int. Appl. (2009), WO 2009121919 A1 20091008.                                  

U.S. Pat. Appl. Publ. (2011), US 20110082137 A1 20110407.