722465-56-7
4-(2-FLUOROPHENYL)-5-(PYRIDIN-3-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
Name4-(2-FLUOROPHENYL)-5-(PYRIDIN-3-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
4-(2-FLUOROPHENYL)-5-(PYRIDIN-3-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03956545
【English Synonyms】
【Formula】
C13 H9 F N4 S
【MolWeight】
272.306
【Inchi】
InChI=1S/C13H9FN4S/c14-10-5-1-2-6-11(10)18-12(16-17-13(18)19)9-4-3-7-15-8-9/h1-8H,(H,17,19)
【InChIKey】
InChIKey=DCCQOKKJJMDNHL-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)n2c(nnc2S)c3cccnc3)F
【MOL File】
4-(2-FLUOROPHENYL)-5….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
4-(2-FLUOROPHENYL)-5-(PYRIDIN-3-YL)-4H-1,2,4-TRIAZOLE-3-THIOL.cml