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CAS 28115-86-8

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3-Methylbenzyl isothiocyanate

Description:
3-Methylbenzyl isothiocyanate is an organic compound characterized by its isothiocyanate functional group attached to a 3-methylbenzyl moiety. It is typically a colorless to pale yellow liquid with a pungent odor, reminiscent of mustard or horseradish, which is common among isothiocyanates. This compound is known for its potential biological activities, including antimicrobial and anticancer properties, making it of interest in both food science and medicinal chemistry. It is soluble in organic solvents but has limited solubility in water. The compound is synthesized through the reaction of 3-methylbenzylamine with thiophosgene or by other methods involving isothiocyanate formation. As with many isothiocyanates, it may exhibit irritant properties and should be handled with care in a laboratory setting. Its applications extend to research in phytochemistry and potential uses in the development of natural pesticides or therapeutic agents.
Formula:C9H7NOS
InChI:InChI=1/C9H7NOS/c1-7-3-2-4-8(5-7)9(11)10-6-12/h2-5H,1H3
SMILES:Cc1cccc(c1)C(=O)N=C=S
Synonyms:
  • 3-Methylbenzoyl isothiocyanate
  • 1-(Isothiocyanatomethyl)-3-Methylbenzene
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