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CAS 51908-29-3

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4-Isothiocyanatobenzenesulfonamide

Description:
4-Isothiocyanatobenzenesulfonamide is an organic compound characterized by the presence of both isothiocyanate and sulfonamide functional groups. Its molecular structure features a benzene ring substituted with a sulfonamide group (–SO2NH2) and an isothiocyanate group (–N=C=S) at the para position. This compound is typically a solid at room temperature and is known for its reactivity, particularly in nucleophilic substitution reactions due to the electrophilic nature of the isothiocyanate group. It is often used in chemical synthesis and research, particularly in the development of pharmaceuticals and agrochemicals. The sulfonamide moiety contributes to its solubility in polar solvents, while the isothiocyanate group can participate in various chemical reactions, including those with amines and alcohols. Additionally, compounds containing isothiocyanates have been studied for their potential biological activities, including antimicrobial and anticancer properties. Proper handling and storage are essential due to the potential toxicity associated with isothiocyanates.
Formula:C7H6N2O2S2
InChI:InChI=1S/C7H6N2O2S2/c8-13(10,11)7-3-1-6(2-4-7)9-5-12/h1-4H,(H2,8,10,11)
InChI key:InChIKey=IMDUFDNFSJWYQT-UHFFFAOYSA-N
SMILES:S(N)(=O)(=O)C1=CC=C(N=C=S)C=C1
Synonyms:
  • 4-(Aminosulfonyl)phenyl isothiocyanate
  • 4-Icsa
  • 4-Isothiocyanatobenzenesulfonamide
  • Benzenesulfonamide, 4-isothiocyanato-
  • Isothiocyanic acid, p-sulfamoylphenyl ester
  • p-Sulfamoylphenyl isothiocyanate
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