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organic compounds
The title compound, C6H11NOS, is a 3-oxothioketone. It adopts an enol constitution which is stabilized by an intramolecular O—H
S hydrogen bond [OS 2.895 (4) Å], even though some molecular orbital calculations suggested that the corresponding enethiol tautomer was most stable for 3-oxothioketone molecules. A Cambridge Structural Database search for the 3-oxothioketone skeleton found four enol structures but no enethiol ones. The molecule lies on the crystallographic mirror plane.
S hydrogen bond [OS 2.895 (4) Å], even though some molecular orbital calculations suggested that the corresponding enethiol tautomer was most stable for 3-oxothioketone molecules. A Cambridge Structural Database search for the 3-oxothioketone skeleton found four enol structures but no enethiol ones. The molecule lies on the crystallographic mirror plane.
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