724749-06-8
5-[4-(DIMETHYLAMINO)PHENYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-[4-(DIMETHYLAMINO)PHENYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-[4-(DIMETHYLAMINO)PHENYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04058984
【English Synonyms】
【Formula】
C12 H16 N4 S
【MolWeight】
248.352
【Inchi】
InChI=1S/C12H16N4S/c1-4-16-11(13-14-12(16)17)9-5-7-10(8-6-9)15(2)3/h5-8H,4H2,1-3H3,(H,14,17)
【InChIKey】
InChIKey=VYKNSOMKGROGHF-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1S)c2ccc(cc2)N(C)C
【MOL File】
5-[4-(DIMETHYLAMINO)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[4-(DIMETHYLAMINO)PHENYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml