585559-97-3
4-((4-(DIMETHYLAMINO)BENZYLIDENE)AMINO)-5-(4-F-PH)-4H-1,2,4-TRIAZOLE-3-THIOL
Name4-((4-(DIMETHYLAMINO)BENZYLIDENE)AMINO)-5-(4-F-PH)-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
4-((4-(DIMETHYLAMINO)BENZYLIDENE)AMINO)-5-(4-F-PH)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04028404
【English Synonyms】
【Formula】
C17 H16 F N5 S
【MolWeight】
341.412
【Inchi】
InChI=1S/C17H16FN5S/c1-22(2)15-9-3-12(4-10-15)11-19-23-16(20-21-17(23)24)13-5-7-14(18)8-6-13/h3-11H,1-2H3,(H,21,24)/b19-11+
【InChIKey】
InChIKey=ZVQBTCCFXXBAFP-YBFXNURJSA-N
【SMILES】
CN(C)c1ccc(cc1)/C=N/n2c(nnc2S)c3ccc(cc3)F
【MOL File】
4-((4-(DIMETHYLAMINO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-((4-(DIMETHYLAMINO)BENZYLIDENE)AMINO)-5-(4-F-PH)-4H-1,2,4-TRIAZOLE-3-THIOL.cml