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CAS 40046-28-4

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4-Methoxy-2-methylphenyl isothiocyanate

Description:
4-Methoxy-2-methylphenyl isothiocyanate is an organic compound characterized by the presence of an isothiocyanate functional group attached to a substituted aromatic ring. Its molecular structure features a methoxy group (-OCH3) and a methyl group (-CH3) on the phenyl ring, contributing to its unique chemical properties. This compound is typically a yellow to brown liquid with a pungent odor, characteristic of isothiocyanates, which are known for their reactivity and potential biological activity. It is soluble in organic solvents but has limited solubility in water. 4-Methoxy-2-methylphenyl isothiocyanate is of interest in various fields, including medicinal chemistry and agrochemicals, due to its potential applications in pest control and as a bioactive compound. Additionally, isothiocyanates are studied for their anticancer properties and other health benefits. Proper handling and storage are essential, as isothiocyanates can be irritants and may pose health risks upon exposure.
Formula:C9H9NOS
InChI:InChI=1/C9H9NOS/c1-7-5-8(11-2)3-4-9(7)10-6-12/h3-5H,1-2H3
InChI key:InChIKey=CXIJSTYYDYSTCX-UHFFFAOYSA-N
SMILES:N(=C=S)C1=C(C)C=C(OC)C=C1
Synonyms:
  • 1-Isothiocyanato-4-Methoxy-2-Methylbenzene
  • 2-Methyl-4-methoxyphenyl isothiocyanate
  • Benzene, 1-isothiocyanato-4-methoxy-2-methyl-
  • 4-Methoxy-2-methylphenyl isothiocyanate
  • 4-METHOXY-2-METHYLPHENYL ISOTHIOCYANATE 99%
  • 4-Methoxy-2-methylphenyl isothiocyate, 99%
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