CAS Registry Number: 17119-74-3

Name:

Pyrimidine, 5-​bromo-​4-​chloro-​6-​methyl-​2-​(methylthio)​-
NSC 97847 

Chemical Formula: C6H6BrClN2S
Exact Mass: 251.91
Molecular Weight: 253.55
m/z: 253.91 (100.0%), 251.91 (74.7%), 255.91 (27.7%), 254.91 (8.0%), 252.92 (4.9%), 256.91 (2.0%), 252.91 (1.2%), 257.90 (1.1%)

InChI: InChI=1S/C6H6BrClN2S/c1-3-4(7)5(8)10-6(9-3)11-2/h1-2H3
InChIKey: HAEVAPWVIGZOMO-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C(=NC(=N1)SC)Cl)Br

Specification

98%

1. (1) Curd, F. H. S.; Journal of the Chemical Society 1946, P721-9 CAPLUS