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CAS 27163-30-0

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4-isothiocyanato-N-(4-methoxyphenyl)aniline

Description:
4-Isothiocyanato-N-(4-methoxyphenyl)aniline, with the CAS number 27163-30-0, is an organic compound characterized by the presence of an isothiocyanate functional group attached to an aniline derivative. This compound features a methoxy group (-OCH3) on the para position of the phenyl ring, which influences its chemical reactivity and solubility. Isothiocyanates are known for their pungent odor and are often associated with various biological activities, including potential anticancer properties. The presence of the methoxy group can enhance the lipophilicity of the compound, affecting its interaction with biological membranes. In terms of physical properties, it is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The compound is of interest in synthetic organic chemistry and may be utilized in the development of pharmaceuticals or agrochemicals due to its reactive isothiocyanate group, which can participate in nucleophilic addition reactions. Safety precautions should be taken when handling this compound, as isothiocyanates can be irritants and potentially harmful.
Formula:C14H12N2OS
InChI:InChI=1/C14H12N2OS/c1-17-14-8-6-13(7-9-14)16-12-4-2-11(3-5-12)15-10-18/h2-9,16H,1H3
SMILES:COc1ccc(cc1)Nc1ccc(cc1)N=C=S
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