CAS Registry Number: 38275-43-3

Name:

5-​Pyrimidinecarbonitri​le, 2-​(methylthio)​-
2-​(Methylthio)​pyrimidine-​5-​carbonitrile 

Chemical Formula: C6H5N3S
Exact Mass: 151.02
Molecular Weight: 151.19
m/z: 151.02 (100.0%), 152.02 (8.4%), 153.02 (4.7%)
Elemental Analysis: C, 47.66; H, 3.33; N, 27.79; S, 21.21

InChI: InChI=1S/C6H5N3S/c1-10-6-8-3-5(2-7)4-9-6/h3-4H,1H3
InChIKey: NCVUCROTSCMJDI-UHFFFAOYSA-N
Canonical SMILES : CSC1=NC=C(C=N1)C#N

Specification

98%

1. (1) von Angerer, S.; Science of Synthesis 2004, V16, P379-572 CAPLUS