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CAS 2131-57-9

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4-Acetylphenyl isothiocyanate

Description:
4-Acetylphenyl isothiocyanate is an organic compound characterized by the presence of both an isothiocyanate functional group and an acetyl group attached to a phenyl ring. Its molecular structure features a phenyl ring substituted with an acetyl group at the para position and an isothiocyanate group, which is known for its reactivity and ability to form thioureas with amines. This compound is typically a yellow to brownish liquid or solid, depending on its purity and temperature. It is soluble in organic solvents such as acetone and chloroform but has limited solubility in water. 4-Acetylphenyl isothiocyanate is of interest in various fields, including medicinal chemistry and agricultural science, due to its potential biological activities, including antimicrobial and anticancer properties. As with many isothiocyanates, it may exhibit a pungent odor and should be handled with care, as it can be irritating to the skin and respiratory system. Proper safety precautions are essential when working with this compound in laboratory settings.
Formula:C9H7NOS
InChI:InChI=1/C9H7NOS/c1-7(11)8-2-4-9(5-3-8)10-6-12/h2-5H,1H3
SMILES:CC(=O)c1ccc(cc1)N=C=S
Synonyms:
  • 4-Isothiocyanatoacetophenone
  • 1-(4-Isothiocyanatophenyl)Ethanone
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