CAS 102074-75-9

4-Isothiocyanato-N-propylbenzenesulfonamide

Description:

4-Isothiocyanato-N-propylbenzenesulfonamide is a chemical compound characterized by the presence of both isothiocyanate and sulfonamide functional groups. It features a propyl chain attached to a benzene ring, which is further substituted with a sulfonamide group and an isothiocyanate group at the para position. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the sulfonamide moiety. The isothiocyanate group is known for its reactivity, particularly in nucleophilic addition reactions, making this compound potentially useful in various synthetic applications, including medicinal chemistry and agrochemicals. Additionally, compounds containing isothiocyanate groups are often studied for their biological activities, including antimicrobial and anticancer properties. Safety data should be consulted, as isothiocyanates can be irritants and may pose health risks upon exposure. Overall, 4-Isothiocyanato-N-propylbenzenesulfonamide represents a versatile structure in organic synthesis and pharmaceutical research.

Formula: C₁₀H₁₂N₂O₂S₂

InChI: InChI=1S/C10H12N2O2S2/c1-2-7-12-16(13,14)10-5-3-9(4-6-10)11-8-15/h3-6,12H,2,7H2,1H3

InChI key: InChIKey=OXYHGHJZDGXDPM-UHFFFAOYSA-N

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

Synonyms:

• Benzenesulfonamide, 4-isothiocyanato-N-propyl-
• Isothiocyanic acid, p-(propylsulfamoyl)phenyl ester
• 4-Isothiocyanato-N-propylbenzenesulfonamide