Ethanedithiol diacetate

Ethane-1,2-diyl S,S'-bis(thioacetate), H3CC(O)SCH2CH2SC(O)CH3 or C6H10O2S2, forms centrosymmetric molecules in the solid state and the molecular struc ture determined by X-ray crystallography is in good agreement with that obt ained by density functional geometry optimization. The planarity of the O=C -S-C fragment, which is also found in structures of other thioacetates, is attributed to a strong n(p)(S)-pi*(C-O) orbital interaction.