CAS 956576-60-6

Hexahydro-1-[(4-isothiocyanatophenyl)sulfonyl]-1H-azepine

Description:

Hexahydro-1-[(4-isothiocyanatophenyl)sulfonyl]-1H-azepine, with the CAS number 956576-60-6, is a chemical compound characterized by its unique structural features. It contains a hexahydroazepine ring, which is a saturated seven-membered nitrogen-containing heterocycle, contributing to its potential biological activity. The presence of a sulfonyl group linked to a phenyl ring that bears an isothiocyanate functional group enhances its reactivity and may impart specific pharmacological properties. Isothiocyanates are known for their biological activities, including anticancer properties, making this compound of interest in medicinal chemistry. The sulfonyl moiety can also influence solubility and stability, which are critical for drug development. Overall, this compound's structural characteristics suggest potential applications in pharmaceuticals, particularly in the development of novel therapeutic agents. Further studies would be necessary to explore its biological effects and practical applications in various fields, including medicinal chemistry and material science.

Formula: C₁₃H₁₆N₂O₂S₂

InChI: InChI=1S/C13H16N2O2S2/c16-19(17,15-9-3-1-2-4-10-15)13-7-5-12(6-8-13)14-11-18/h5-8H,1-4,9-10H2

InChI key: InChIKey=DXVSAGFLARHWIP-UHFFFAOYSA-N

SMILES: S(=O)(=O)(C1=CC=C(N=C=S)C=C1)N2CCCCCC2

Synonyms:

• Hexahydro-1-[(4-isothiocyanatophenyl)sulfonyl]-1H-azepine
• 1H-Azepine, hexahydro-1-[(4-isothiocyanatophenyl)sulfonyl]-