thiepine

Chemical compound

Chemical compoundtype of chemical entityQ417835

Also known as thiepin

Formula: C₆H₆S
1
Sources
1.Stated in PubChem“thiepine”Retrieved 2016-09-19
View statement on Wikidata ↗
Mass: 110.019 Da
1
Sources
1.Stated in PubChem“thiepine”Retrieved 2016-09-19
View statement on Wikidata ↗

Overview

From Wikipedia, the free encyclopedia · Read full article · Text CC BY-SA 4.0

In organic chemistry, thiepine (or thiepin) is an unsaturated seven-membered heterocyclic compound, with six carbon atoms and one sulfur atom. The parent compound, C6H6S is unstable and is predicted to be antiaromatic. Bulky derivatives have been isolated and shown by X-ray crystallography to have nonplanar C6S ring.

Overview

Chemistry

Computed by PubChem CID 12444286 (NIH) · Public domain

Molecular formula: C6H6S
Molecular weight: 110.18 g/mol
IUPAC name: thiepine
SMILES: C1=CC=CSC=C1
InChIKey: BISQTCXKVNCDDA-UHFFFAOYSA-N
XLogP: 2.2
Topological polar surface area: 25.3 Å²
H-bond donors / acceptors: 0 / 1
Complexity: 106

Chemistry

All data

22 statements · 50% with external sources · numbers in brackets are citations

Canonical SMILES: C1=CC=CSC=C1
1
Sources
1.Stated in PubChem“thiepine”Retrieved 2016-09-19
View statement on Wikidata ↗
Subclass of: organosulfur heterocyclic compound
Members / parts: carbon
sulfur
hydrogen

On other databases

14 identifiers linking thiepine across the web's reference databases

Data quality

statements

50%

externally sourced

Source last edited June 19, 2026. AIDB refreshes this page daily.

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AIDB. (2026). thiepine (Q417835). Retrieved from https://aidb.si/e/thiepine-Q417835