CAS 956576-73-1

4-Isothiocyanato-N-(2-phenylethyl)benzenesulfonamide

Description:

4-Isothiocyanato-N-(2-phenylethyl)benzenesulfonamide is a chemical compound characterized by the presence of an isothiocyanate functional group, which is known for its reactivity and ability to form thioureas and other derivatives. This compound features a sulfonamide group, which contributes to its solubility and potential biological activity. The phenylethyl moiety suggests that it may exhibit interactions with biological targets, making it of interest in medicinal chemistry. The presence of the isothiocyanate group often indicates potential applications in the field of agrochemicals or pharmaceuticals, particularly in the development of anticancer agents or other therapeutic compounds. Additionally, the compound's structure may influence its physical properties, such as melting point, boiling point, and solubility in various solvents. Overall, 4-Isothiocyanato-N-(2-phenylethyl)benzenesulfonamide represents a unique chemical entity with potential applications in research and industry, warranting further investigation into its properties and reactivity.

Formula: C₁₅H₁₄N₂O₂S₂

InChI: InChI=1S/C15H14N2O2S2/c18-21(19,15-8-6-14(7-9-15)16-12-20)17-11-10-13-4-2-1-3-5-13/h1-9,17H,10-11H2

InChI key: InChIKey=UOFBUEDYWWDJLK-UHFFFAOYSA-N

SMILES: S(NCCC1=CC=CC=C1)(=O)(=O)C2=CC=C(N=C=S)C=C2

Synonyms:

• Benzenesulfonamide, 4-isothiocyanato-N-(2-phenylethyl)-
• 4-Isothiocyanato-N-(2-phenylethyl)benzenesulfonamide