721893-55-6
4-(2-METHYLCYCLOHEXYL)-5-(PYRIDIN-3-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
Name4-(2-METHYLCYCLOHEXYL)-5-(PYRIDIN-3-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
4-(2-METHYLCYCLOHEXYL)-5-(PYRIDIN-3-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03953983
【English Synonyms】
【Formula】
C14 H18 N4 S
【MolWeight】
274.39
【Inchi】
InChI=1S/C14H18N4S/c1-10-5-2-3-7-12(10)18-13(16-17-14(18)19)11-6-4-8-15-9-11/h4,6,8-10,12H,2-3,5,7H2,1H3,(H,17,19)
【InChIKey】
InChIKey=PUJQPRBCIATNGV-UHFFFAOYSA-N
【SMILES】
CC1CCCCC1n2c(nnc2S)c3cccnc3
【MOL File】
4-(2-METHYLCYCLOHEXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-METHYLCYCLOHEXYL)-5-(PYRIDIN-3-YL)-4H-1,2,4-TRIAZOLE-3-THIOL.cml