577694-35-0
5-(2-F-PH)-4-((4-(TRIFLUOROMETHYL)BENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-(2-F-PH)-4-((4-(TRIFLUOROMETHYL)BENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-(2-F-PH)-4-((4-(TRIFLUOROMETHYL)BENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04027484
【English Synonyms】
【Formula】
C16 H10 F4 N4 S
【MolWeight】
366.341
【Inchi】
InChI=1S/C16H10F4N4S/c17-13-4-2-1-3-12(13)14-22-23-15(25)24(14)21-9-10-5-7-11(8-6-10)16(18,19)20/h1-9H,(H,23,25)/b21-9+
【InChIKey】
InChIKey=JZVOTCUQGHKQHG-ZVBGSRNCSA-N
【SMILES】
c1ccc(c(c1)c2nnc(n2/N=C/c3ccc(cc3)C(F)(F)F)S)F
【MOL File】
5-(2-F-PH)-4-((4-(TR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(2-F-PH)-4-((4-(TRIFLUOROMETHYL)BENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL.cml