587005-39-8
5-(2-FLUOROPHENYL)-4-((2-FURYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-(2-FLUOROPHENYL)-4-((2-FURYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-(2-FLUOROPHENYL)-4-((2-FURYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04032317
【English Synonyms】
【Formula】
C13 H9 F N4 O S
【MolWeight】
288.305
【Inchi】
InChI=1S/C13H9FN4OS/c14-11-6-2-1-5-10(11)12-16-17-13(20)18(12)15-8-9-4-3-7-19-9/h1-8H,(H,17,20)/b15-8+
【InChIKey】
InChIKey=SZSAYUAWHIKKHR-OVCLIPMQSA-N
【SMILES】
c1ccc(c(c1)c2nnc(n2/N=C/c3ccco3)S)F
【MOL File】
5-(2-FLUOROPHENYL)-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(2-FLUOROPHENYL)-4-((2-FURYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL.cml