Building Blocks

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

1-(Benzo[d][1,3]dioxol-5-yl)thiourea is a molecule that belongs to the class of heterocycles. The molecular geometry of this compound has been calculated at the density functional theory level using the B3LYP hybrid functional. The hyperpolarizability of 1-(benzo[d][1,3]dioxol-5-yl)thiourea has been calculated by using the polarizability and frequency parameters in conjunction with the frequency spectrum. The optimum values for these parameters have been determined from an analysis of the electronic structure and density theory.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

3,6-Methylene-2,5-piperazinedione is a heterocyclic compound that belongs to the piperazinedione ring system. It is synthesized from 3,6-dithiobenzoic acid and thioacetic acid. The synthesis of this compound proceeds through a series of reactions involving oxidation of the thioacetic acid to the dithiols, followed by a sequence of nucleophilic substitution reactions.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

1-Methyl-4-phenyl-1H-1,2,3-triazole is a ligand that interacts with copper. It is used in the synthesis of pyridine complexes and as a reagent for the preparation of other organometallic compounds. 1-Methyl-4-phenyl-1H-1,2,3-triazole has been shown to be able to replace azide or chloride ligands in some metal coordination complexes. It has been observed in spectra of copper and rhenium complexes with axially coordinated ligands. The X ray crystal structures of 1 methyl 4 phenyl 1H 1 2 3 triazole have revealed that it can be either a luminescent or nonluminescent compound depending on the type of solvent used during its preparation.