54649-08-0
2,4-DIHYDRO-4-BUTYL-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-3H-1,2,4-TRIAZOLE-3-THIONE
Name2,4-DIHYDRO-4-BUTYL-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-3H-1,2,4-TRIAZOLE-3-THIONE
1Identification
【Name】
2,4-DIHYDRO-4-BUTYL-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-3H-1,2,4-TRIAZOLE-3-THIONE
【CAS】
【MDL】
MFCD01678481
【English Synonyms】
【Formula】
C16 H20 N4 S
【MolWeight】
300.428
【Inchi】
InChI=1S/C16H20N4S/c1-3-4-9-20-15(18-19-16(20)21)10-13-11(2)17-14-8-6-5-7-12(13)14/h5-8,17H,3-4,9-10H2,1-2H3,(H,19,21)
【InChIKey】
InChIKey=LUZNIARHZJPBHZ-UHFFFAOYSA-N
【SMILES】
CCCCn1c(n[nH]c1=S)Cc2c([nH]c3c2cccc3)C
【MOL File】
2,4-DIHYDRO-4-BUTYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4-DIHYDRO-4-BUTYL-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-3H-1,2,4-TRIAZOLE-3-THIONE.cml