CAS 956576-77-5

4-Isothiocyanato-N-[(tetrahydro-2-furanyl)methyl]benzenesulfonamide

Description:

4-Isothiocyanato-N-[(tetrahydro-2-furanyl)methyl]benzenesulfonamide is a chemical compound characterized by its isothiocyanate functional group, which is known for its reactivity and potential biological activity. The presence of the sulfonamide group suggests that it may exhibit properties relevant to medicinal chemistry, particularly in the development of pharmaceuticals. The tetrahydro-2-furanyl moiety contributes to the compound's structural complexity and may influence its solubility and interaction with biological targets. This compound is likely to be a solid at room temperature, with potential applications in research, particularly in the fields of organic synthesis and medicinal chemistry. Its reactivity can be attributed to the isothiocyanate group, which can participate in nucleophilic reactions, making it a valuable intermediate in the synthesis of other chemical entities. Safety and handling precautions should be observed due to the potential toxicity associated with isothiocyanates. Overall, this compound represents a unique structure that may have implications in various chemical and biological contexts.

Formula: C₁₂H₁₄N₂O₃S₂

InChI: InChI=1S/C12H14N2O3S2/c15-19(16,14-8-11-2-1-7-17-11)12-5-3-10(4-6-12)13-9-18/h3-6,11,14H,1-2,7-8H2

InChI key: InChIKey=CGCDDAVLIRTESD-UHFFFAOYSA-N

SMILES: S(NCC1CCCO1)(=O)(=O)C2=CC=C(N=C=S)C=C2

Synonyms:

• Benzenesulfonamide, 4-isothiocyanato-N-[(tetrahydro-2-furanyl)methyl]-
• 4-Isothiocyanato-N-[(tetrahydro-2-furanyl)methyl]benzenesulfonamide
• 4-ISOTHIOCYANATO-N-(TETRAHYDROFURAN-2-YLMETHYL)BENZENESULFONAMIDE
• 4-isothiocyanato-N-(oxolan-2-ylmethyl)benzenesulfonamide