Nature of the Carbon−Sulfur Bond in the Species H−CS−OH

A QTAIM (Quantum-Theory-Atoms-in-Molecules) and ELF (electron localization function) topological analysis of the bonding in the recently reported molecule HCSX, X = OH reveals that the central carbon−sulfur bond is highly tunable, from having triple character at one limit to being almost a single bond at the other depending on the nature of the group X.