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CAS 6095-82-5

:

2,4,6-Trimethylphenyl isothiocyanate

Description:
2,4,6-Trimethylphenyl isothiocyanate is an organic compound characterized by the presence of an isothiocyanate functional group attached to a trimethyl-substituted phenyl ring. Its molecular structure features a benzene ring with three methyl groups located at the 2, 4, and 6 positions, which contributes to its steric and electronic properties. This compound is typically a yellow to brown liquid with a pungent odor, indicative of the isothiocyanate group, which is known for its reactivity and potential biological activity. It is soluble in organic solvents but has limited solubility in water. 2,4,6-Trimethylphenyl isothiocyanate is often used in organic synthesis and may exhibit antimicrobial and anticancer properties, making it of interest in pharmaceutical research. Safety precautions are necessary when handling this compound due to its potential irritant effects on skin and mucous membranes. As with many isothiocyanates, it may also have a role in plant defense mechanisms and can be derived from natural sources, particularly in cruciferous vegetables.
Formula:C10H11NS
InChI:InChI=1/C10H11NS/c1-7-4-8(2)10(11-6-12)9(3)5-7/h4-5H,1-3H3
SMILES:Cc1cc(C)c(c(C)c1)N=C=S
Synonyms:
  • Mesityl isothiocyanate
  • 2-Isothiocyanato-1,3,5-Trimethylbenzene
  • 2,4,6-Trimethylphenyl isothiocyanate 97%
  • 2,4,6-TRIMETHYLPHENYL ISOTHIOCYANATE
  • Isothiocyanatomesitylene
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