54649-06-8
2,4-DIHYDRO-4-CYCLOHEXYL-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-3H-1,2,4-TRIAZOLE-3-THIONE
Name2,4-DIHYDRO-4-CYCLOHEXYL-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-3H-1,2,4-TRIAZOLE-3-THIONE
1Identification
【Name】
2,4-DIHYDRO-4-CYCLOHEXYL-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-3H-1,2,4-TRIAZOLE-3-THIONE
【CAS】
【MDL】
MFCD01678499
【English Synonyms】
【Formula】
C18 H22 N4 S
【MolWeight】
326.466
【Inchi】
InChI=1S/C18H22N4S/c1-12-15(14-9-5-6-10-16(14)19-12)11-17-20-21-18(23)22(17)13-7-3-2-4-8-13/h5-6,9-10,13,19H,2-4,7-8,11H2,1H3,(H,21,23)
【InChIKey】
InChIKey=GXUOKIWEPJDZCH-UHFFFAOYSA-N
【SMILES】
Cc1c(c2ccccc2[nH]1)Cc3n[nH]c(=S)n3C4CCCCC4
【MOL File】
2,4-DIHYDRO-4-CYCLOH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4-DIHYDRO-4-CYCLOHEXYL-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-3H-1,2,4-TRIAZOLE-3-THIONE.cml