CAS 956576-76-4

4-Isothiocyanato-N,N-bis(1-methylethyl)benzenesulfonamide

Description:

4-Isothiocyanato-N,N-bis(1-methylethyl)benzenesulfonamide is a chemical compound characterized by its isothiocyanate functional group, which is known for its reactivity and potential biological activity. The compound features a sulfonamide group, which can influence its solubility and interaction with biological systems. Typically, isothiocyanates are derived from glucosinolates and are recognized for their role in plant defense mechanisms, as well as their potential anticancer properties. The presence of the N,N-bis(1-methylethyl) substituents suggests that the compound may exhibit steric hindrance, potentially affecting its reactivity and interaction with other molecules. This compound may be of interest in medicinal chemistry and agricultural applications due to its unique structure and functional groups. Additionally, its CAS number, 956576-76-4, allows for precise identification in chemical databases and literature. Overall, the characteristics of this compound make it a subject of interest for further research in various fields, including pharmacology and agrochemistry.

Formula: C₁₃H₁₈N₂O₂S₂

InChI: InChI=1S/C13H18N2O2S2/c1-10(2)15(11(3)4)19(16,17)13-7-5-12(6-8-13)14-9-18/h5-8,10-11H,1-4H3

InChI key: InChIKey=LTLUOWYTEDQOLC-UHFFFAOYSA-N

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

Synonyms:

• Benzenesulfonamide, 4-isothiocyanato-N,N-bis(1-methylethyl)-
• 4-Isothiocyanato-N,N-bis(1-methylethyl)benzenesulfonamide