54649-07-9
2,4-DIHYDRO-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-4-(2-PROPENYL)-3H-1,2,4-TRIAZOLE-3-THIONE
Name2,4-DIHYDRO-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-4-(2-PROPENYL)-3H-1,2,4-TRIAZOLE-3-THIONE
1Identification
【Name】
2,4-DIHYDRO-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-4-(2-PROPENYL)-3H-1,2,4-TRIAZOLE-3-THIONE
【CAS】
【MDL】
MFCD01678470
【English Synonyms】
【Formula】
C15 H16 N4 S
【MolWeight】
284.385
【Inchi】
InChI=1S/C15H16N4S/c1-3-8-19-14(17-18-15(19)20)9-12-10(2)16-13-7-5-4-6-11(12)13/h3-7,16H,1,8-9H2,2H3,(H,18,20)
【InChIKey】
InChIKey=FWXTZMOAIANYMQ-UHFFFAOYSA-N
【SMILES】
Cc1c(c2ccccc2[nH]1)Cc3n[nH]c(=S)n3CC=C
【MOL File】
2,4-DIHYDRO-5-((2-ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4-DIHYDRO-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-4-(2-PROPENYL)-3H-1,2,4-TRIAZOLE-3-THIONE.cml