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CAS 75272-77-4

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3-Methoxybenzyl isothiocyanate

Description:
3-Methoxybenzyl isothiocyanate is an organic compound characterized by the presence of an isothiocyanate functional group attached to a 3-methoxybenzyl moiety. It typically appears as a colorless to pale yellow liquid with a pungent odor, which is common for isothiocyanates. This compound is known for its potential biological activities, including antimicrobial and anticancer properties, making it of interest in pharmaceutical and agricultural research. It is soluble in organic solvents but has limited solubility in water. The compound can be synthesized through the reaction of 3-methoxybenzylamine with a suitable isothiocyanate precursor. As with many isothiocyanates, it may exhibit reactivity towards nucleophiles due to the presence of the isothiocyanate group, which can lead to the formation of various derivatives. Safety precautions should be taken when handling this compound, as isothiocyanates can be irritants and may pose health risks upon exposure. Overall, 3-Methoxybenzyl isothiocyanate represents a valuable compound in the study of bioactive substances.
Formula:C9H9NOS
InChI:InChI=1/C9H9NOS/c1-11-9-4-2-3-8(5-9)6-10-7-12/h2-5H,6H2,1H3
SMILES:COc1cccc(c1)CN=C=S
Synonyms:
  • m-Methoxybenzylisothiocyanate
  • Benzene, 1-(isothiocyanatomethyl)-3-methoxy-
  • 1-(Isothiocyanatomethyl)-3-Methoxybenzene
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