4-Cyano-3-tetrahydrothiophenone TCI C1164

Chemical Identity

Other names: 4-Cyano-3-oxotetrahydrothiophene
CAS No.: 16563-14-7
PubChem: CID 326676·SID 87566191
Formula: C5H5NOS
Molecular weight: 127.16 g/mol
Purity: >98.0%(GC)
Reference databases: ECHA

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: 4-oxothiolane-3-carbonitrile
SMILES: C1C(C(=O)CS1)C#N
InChIKey: OHPSBDAUCJNDHP-UHFFFAOYSA-N
MDL: MDL00059049

Rp 1.167.600,00

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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.