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CAS 40532-06-7

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2,5-Dimethoxyphenyl isothiocyanate

Description:
2,5-Dimethoxyphenyl isothiocyanate is an organic compound characterized by the presence of an isothiocyanate functional group attached to a phenyl ring that is further substituted with two methoxy groups at the 2 and 5 positions. This compound typically appears as a yellow to brownish liquid or solid, depending on its purity and specific conditions. It is known for its reactivity, particularly in nucleophilic substitution reactions, due to the electrophilic nature of the isothiocyanate group. The methoxy substituents can influence the compound's solubility and reactivity, often enhancing its lipophilicity. 2,5-Dimethoxyphenyl isothiocyanate is of interest in various fields, including medicinal chemistry and agrochemicals, due to its potential biological activities, such as antimicrobial and anticancer properties. Safety precautions should be taken when handling this compound, as isothiocyanates can be irritants and may pose health risks. Proper storage and handling in a controlled environment are essential to ensure safety and stability.
Formula:C9H9NO2S
InChI:InChI=1/C9H9NO2S/c1-11-7-3-4-9(12-2)8(5-7)10-6-13/h3-5H,1-2H3
SMILES:COc1ccc(c(c1)N=C=S)OC
Synonyms:
  • 2-Isothiocyanato-1,4-Dimethoxybenzene
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