586995-39-3
5-(4-FLUOROPHENYL)-4-((2-THIENYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-(4-FLUOROPHENYL)-4-((2-THIENYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-(4-FLUOROPHENYL)-4-((2-THIENYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04033058
【English Synonyms】
【Formula】
C13 H9 F N4 S2
【MolWeight】
304.372
【Inchi】
InChI=1S/C13H9FN4S2/c14-10-5-3-9(4-6-10)12-16-17-13(19)18(12)15-8-11-2-1-7-20-11/h1-8H,(H,17,19)/b15-8+
【InChIKey】
InChIKey=PVVWCHNVYNJWCX-OVCLIPMQSA-N
【SMILES】
c1cc(sc1)/C=N/n2c(nnc2S)c3ccc(cc3)F
【MOL File】
5-(4-FLUOROPHENYL)-4….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-FLUOROPHENYL)-4-((2-THIENYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL.cml