Synthesis and Characterization of some Thiosemicarbazones and their Complexes

Abstract

This chapter reports the synthesis and characterization of complexes of copper (II) and iron (II) with thiosemicarbazones of 2,4-dichlorothiosemicarbazon [Cu(C&H7C12N3S)2]SO4, [Fe(C8117Cl2N3S)2]SO4 and salicylaldehyde thiosemicarbazone [Cu(C8H9N3OS)2]SO4, [Fe(C8H9N3OS)2]SO4 have been described. The ligands and complexes were prepared through refluxing. The characterization was done by FT-IR, UV, and NMR spectroscopic techniques. The physicochemical parameters of the synthesized ligand and complexes were calculated using Molinspiration and SwissADME, Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) properties were assessed using admetSAR. Physiochemical characteristics of synthesize ligands and their metal complexes were determined using Mol inspiration and SwissADME softwares. Properties like molecular weight topological polar surface area (IPSA), number of hydrogen bond donors and acceptors etc. were calculated to know the probable potential of molecules as lead candidates. TPSA was within the range i.e. below 102.73 A and the number of hydrogen bond donors and acceptors were also within the suggested range.