Electric Literature of 130-03-0, New research progress on 130-03-0 in 2021. The transformation of simple hydrocarbons into more complex and valuable products via catalytic C–H bond functionalisation has revolutionised modern synthetic chemistry. In a article, 130-03-0, molcular formula is C8H6OS, introducing its new discovery.
Results of X-ray diffraction study and quantum-chemical calculations revealed that molecular conformation of thioindirubin molecule creates suitable conditions for formation of intramolecular C-H···O and S···O interactions. Analysis of molecular electrostatic potential (MEP) demonstrates existence of two areas of positive MEP (sigma-holes) in the outermost part of the sulfur atom on the continuation of the lines of the C-S bonds. One of these sigma-holes is oriented toward region of negative MEP around the oxygen atom of carbonyl group. Such situation corresponds to formation of sigma-hole or chalcogen bond. Existence of both types of bonding interactions is confirmed by topological analysis of electron density distribution using “Atoms in Molecules” (AIM) theory. Energies of the C-H···O hydrogen bond and the S···O sigma-hole bond derived from AIM and NBO theories are very close.
We’ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, the role of 130-03-0, and how the biochemistry of the body works.Electric Literature of 130-03-0
Reference：
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem