Related Products of 96-53-7, Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals in a one-pot relay manner. 96-53-7, Name is 4,5-Dihydrothiazole-2-thiol, SMILES is SC1=NCCS1, belongs to thiazoles compound. In a article, author is Tuzun, Burak, introduce new discover of the category.
Quantum chemical study of thiaozole derivatives as corrosion inhibitors based on density functional theory
Quantum chemical and theoretical calculations were carried out in the present study of some thiaozole derivatives. Relationship between electronic parameters of thiaozole derivatives 5-benzylidene-2,4-dioxo tetrahydro1,3-thiazole (5-BDT) 5-(4′-isopropylbenzylidene)-2,4-dioxotetrahydro-1,3-thiazole (5IPBDT), 5-(3′-thenylidene)-2,4-dioxotetrahydro-1,3-thiazole (5-TDT) and 5-(3′, 4’dimetoxybenzylidene)-2,4-dioxotetrahydro-1,3-thiazole (5-MBDT) and corrosion inhibition efficiency have been investigated by the Hartree-Fock (HF) and Becke, 3-parameter, Lee-Yang-Parr (B3LYP), M06-2X method with 3-21G, 6-31G, and sdd basis set. All calculations have been performed using the Gaussian 09W suite of programs. The properties most relevant to their potential action as corrosion inhibitors: EHOMO, ELUMO, Delta E (HOMO-LUMO energy gap), electronegativity (chi), chemical potential (mu), chemical hardness (eta), electrophilicity (omega), nucleophilicity (epsilon), global softness (sigma) and proton affinity (PA) have been studied. (C) 2020 Published by Elsevier B.V. on behalf of King Saud University.
Related Products of 96-53-7, The reactant in an enzyme-catalyzed reaction is called a substrate. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction.I hope my blog about 96-53-7 is helpful to your research.
Reference:
Thiazole | C3H3NS – PubChem,
,Thiazole | chemical compound | Britannica