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CAS 158756-25-3

:

4-isothiocyanatobenzamide

Description:
4-Isothiocyanatobenzamide, with the CAS number 158756-25-3, is an organic compound characterized by the presence of both an isothiocyanate functional group and an amide group attached to a benzene ring. This compound typically appears as a solid and is known for its reactivity, particularly in nucleophilic addition reactions due to the electrophilic nature of the isothiocyanate group. It is often utilized in organic synthesis and medicinal chemistry, where it may serve as a building block for more complex molecules or as a reagent in various chemical reactions. The compound exhibits properties such as solubility in polar organic solvents and may have specific interactions with biological systems, making it of interest in pharmacological studies. Additionally, its structure allows for potential applications in the development of agrochemicals or as a probe in biochemical research. Safety precautions should be observed when handling this compound, as isothiocyanates can be irritants and may pose health risks.
Formula:C8H6N2OS
InChI:InChI=1/C8H6N2OS/c9-8(11)6-1-3-7(4-2-6)10-5-12/h1-4H,(H2,9,11)
SMILES:c1cc(ccc1C(=O)N)N=C=S
Synonyms:
  • 4-Isothiocyanatobenzamid
  • Benzamide, 4-Isothiocyanato-
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