590353-09-6
5-(2-CYCLOHEXYLETHYL)-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-(2-CYCLOHEXYLETHYL)-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-(2-CYCLOHEXYLETHYL)-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03945671
【English Synonyms】
【Formula】
C11 H19 N3 S
【MolWeight】
225.358
【Inchi】
InChI=1S/C11H19N3S/c1-14-10(12-13-11(14)15)8-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,13,15)
【InChIKey】
InChIKey=ZMFPKCOJBOPVAJ-UHFFFAOYSA-N
【SMILES】
Cn1c(nnc1S)CCC2CCCCC2
【MOL File】
5-(2-CYCLOHEXYLETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(2-CYCLOHEXYLETHYL)-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml