339029-89-9
2-(METHYLSULFANYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE
Name2-(METHYLSULFANYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE
1Identification
【Name】
2-(METHYLSULFANYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE
【CAS】
【MDL】
MFCD00173629
【English Synonyms】
【Formula】
C7 H5 N5 S
【MolWeight】
191.217
【Inchi】
InChI=1S/C7H5N5S/c1-13-7-10-6-9-3-5(2-8)4-12(6)11-7/h3-4H,1H3
【InChIKey】
InChIKey=HQGOUBGGDDUGKW-UHFFFAOYSA-N
【SMILES】
CSc1nc2ncc(cn2n1)C#N
【MOL File】
2-(METHYLSULFANYL)[1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(METHYLSULFANYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE.cml