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CAS 35967-24-9

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3,4,5-Trimethoxyphenyl isothiocyanate

Description:
3,4,5-Trimethoxyphenyl isothiocyanate is an organic compound characterized by the presence of an isothiocyanate functional group attached to a phenyl ring that is further substituted with three methoxy groups. This compound is typically derived from the corresponding amine or phenol through a reaction with thiophosgene or other isothiocyanate precursors. It exhibits a range of biological activities, including potential anticancer properties, making it of interest in medicinal chemistry. The methoxy groups enhance its lipophilicity and may influence its reactivity and interaction with biological targets. In terms of physical properties, it is generally a solid at room temperature, with a specific melting point and solubility characteristics that depend on the solvent used. The presence of the isothiocyanate group suggests that it may participate in nucleophilic reactions, making it a useful intermediate in organic synthesis. Safety data indicates that, like many isothiocyanates, it should be handled with care due to potential irritant effects.
Formula:C10H11NO3S
InChI:InChI=1S/C10H11NO3S/c1-12-8-4-7(11-6-15)5-9(13-2)10(8)14-3/h4-5H,1-3H3
InChI key:InChIKey=AFWKAIYTSPWWCA-UHFFFAOYSA-N
SMILES:O(C)C1=C(OC)C=C(N=C=S)C=C1OC
Synonyms:
  • 5-Isothiocyanato-1,2,3-Trimethoxybenzene
  • Benzene, 5-isothiocyanato-1,2,3-trimethoxy-
  • 3,4,5-Trimethoxyphenyl isothiocyanate
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