CAS Registry Number: 38275-41-1

Name:

5-​Pyrimidinecarboxylic acid, 2-​(methylthio)​-​, methyl ester
2-​Methylsulfanylpyrimi​dine-​5-​carboxylic acid methyl ester; Methyl 2-​methylthiopyrimidine​-​5-​carboxylate 

Chemical Formula: C7H8N2O2S
Exact Mass: 184.03
Molecular Weight: 184.22
m/z: 184.03 (100.0%), 185.03 (9.2%), 186.03 (5.1%)
Elemental Analysis: C, 45.64; H, 4.38; N, 15.21; O, 17.37; S, 17.41

InChI: InChI=1S/C7H8N2O2S/c1-11-6(10)5-3-8-7(12-2)9-4-5/h3-4H,1-2H3
InChIKey: PSYRMEZGAWNWHV-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CN=C(N=C1)SC

Specification

98%

PCT Int. Appl. (2011), WO 2011084368 A1 20110714.                                  

PCT Int. Appl. (2008), WO 2008121670 A1 20081009.