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CAS 21714-25-0

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2-(3,4-Dimethoxyphenyl)ethylisothiocyanate, (3,4-Dimethoxyphenethylisothiocyanate)

Description:
2-(3,4-Dimethoxyphenyl)ethylisothiocyanate, also known as 3,4-Dimethoxyphenethylisothiocyanate, is an organic compound characterized by the presence of an isothiocyanate functional group attached to a phenethyl moiety that features two methoxy substituents on the aromatic ring. This compound typically exhibits a yellow to brownish color and is soluble in organic solvents such as ethanol and dimethyl sulfoxide, but has limited solubility in water. Isothiocyanates are known for their biological activity, including potential anticancer properties and antimicrobial effects, making this compound of interest in medicinal chemistry and pharmacology. The presence of the methoxy groups can influence its reactivity and biological interactions, potentially enhancing its lipophilicity and modulating its pharmacokinetic properties. As with many isothiocyanates, it may also exhibit pungent odors and can be reactive towards nucleophiles, which is a characteristic feature of this functional group. Safety precautions should be taken when handling this compound due to its potential irritant properties.
Formula:C11H13NO2S
InChI:InChI=1/C11H13NO2S/c1-13-10-4-3-9(5-6-12-8-15)7-11(10)14-2/h3-4,7H,5-6H2,1-2H3
SMILES:COc1ccc(CCN=C=S)cc1OC
Synonyms:
  • 2-(3,4-Dimethoxyphenyl)ethyl isothiocyanate
  • 3,4-Dimethoxyphenethyl isothiocyanate
  • 4-(2-Isothiocyanatoethyl)-1,2-Dimethoxybenzene
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