851207-79-9
5-[4-(DIETHYLAMINO)PHENYL]-4-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
Name5-[4-(DIETHYLAMINO)PHENYL]-4-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
1Identification
【Name】
5-[4-(DIETHYLAMINO)PHENYL]-4-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
【CAS】
【MDL】
MFCD06375926
【English Synonyms】
【Formula】
C19 H22 N4 S
【MolWeight】
338.477
【Inchi】
InChI=1S/C19H22N4S/c1-4-22(5-2)16-12-10-15(11-13-16)18-20-21-19(24)23(18)17-9-7-6-8-14(17)3/h6-13H,4-5H2,1-3H3,(H,21,24)
【InChIKey】
InChIKey=XAJRGLUHUADUFU-UHFFFAOYSA-N
【SMILES】
CCN(CC)c1ccc(cc1)c2n[nH]c(=S)n2c3ccccc3C
【MOL File】
5-[4-(DIETHYLAMINO)P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[4-(DIETHYLAMINO)PHENYL]-4-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE.cml