TCI
Chemical Identity
- Other names
- 4-Cyano-3-oxotetrahydrothiophene
- CAS No.
- 16563-14-7
- Formula
- C5H5NOS
- Molecular weight
- 127.16 g/mol
- Purity
- >98.0%(GC)
Full identifiers (IUPAC, SMILES, InChIKey)
- IUPAC
- 4-oxothiolane-3-carbonitrile
- SMILES
- C1C(C(=O)CS1)C#N
- InChIKey
- OHPSBDAUCJNDHP-UHFFFAOYSA-N
- MDL
- MDL00059049
- PubChem
- CID 326676
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4-Cyano-3-tetrahydrothiophenone (TCI C1164, CAS 16563-14-7) is a sulfur heterocyclic building block that combines a cyclic ketone with an adjacent nitrile group. This cyclic β-ketonitrile motif condenses readily with hydrazines, amidines, and ureas to give fused heterocyclic systems such as pyrazoles and thienopyrimidines. It is also a common entry point to substituted aminothiophene derivatives frequently found in bioactive compound libraries. Offered in 1 g, 5 g, and 25 g packs, the solid should be handled in a fume hood and stored sealed in a cool, dry, light-protected place.
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