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CAS 16778-84-0

:

4-Methoxybenzoyl isothiocyanate

Description:
4-Methoxybenzoyl isothiocyanate is an organic compound characterized by its isothiocyanate functional group, which is derived from the reaction of 4-methoxybenzoic acid with thiophosgene or similar reagents. This compound typically appears as a yellow to light brown liquid or solid, depending on its purity and form. It is known for its reactivity, particularly in nucleophilic substitution reactions, where the isothiocyanate group can react with amines and alcohols to form thioureas and thiocarbamates, respectively. The presence of the methoxy group enhances its solubility in organic solvents and may influence its biological activity. 4-Methoxybenzoyl isothiocyanate is often utilized in synthetic organic chemistry and may have applications in the development of pharmaceuticals and agrochemicals. As with many isothiocyanates, it may exhibit biological activity, including potential antimicrobial and anticancer properties, although specific studies would be necessary to confirm these effects. Proper handling and safety precautions are essential due to its reactive nature and potential toxicity.
Formula:C9H7NO2S
InChI:InChI=1/C9H7NO2S/c1-12-8-4-2-7(3-5-8)9(11)10-6-13/h2-5H,1H3
SMILES:COc1ccc(cc1)C(=O)N=C=S
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