586992-51-0
2-(5-((2,5-DIMETHYLBENZYL)THIO)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PYRAZINE
Name2-(5-((2,5-DIMETHYLBENZYL)THIO)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PYRAZINE
1Identification
【Name】
2-(5-((2,5-DIMETHYLBENZYL)THIO)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PYRAZINE
【CAS】
【MDL】
MFCD04032095
【English Synonyms】
【Formula】
C17 H19 N5 S
【MolWeight】
325.438
【Inchi】
InChI=1S/C17H19N5S/c1-4-22-16(15-10-18-7-8-19-15)20-21-17(22)23-11-14-9-12(2)5-6-13(14)3/h5-10H,4,11H2,1-3H3
【InChIKey】
InChIKey=ANIIEOPWROBPMM-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCc2cc(ccc2C)C)c3cnccn3
【MOL File】
2-(5-((2,5-DIMETHYLB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(5-((2,5-DIMETHYLBENZYL)THIO)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)PYRAZINE.cml