CAS 13203-39-9
:4-Methylphenethyl isothiocyanate
Description:
4-Methylphenethyl isothiocyanate is an organic compound characterized by its isothiocyanate functional group, which is derived from the reaction of a corresponding thiourea with an appropriate halide. This compound features a phenethyl backbone with a methyl group at the para position relative to the isothiocyanate group. It is typically a colorless to pale yellow liquid with a pungent odor, characteristic of isothiocyanates, which are known for their strong and often acrid scents. The compound is soluble in organic solvents and exhibits low solubility in water. 4-Methylphenethyl isothiocyanate is of interest in various fields, including organic synthesis and medicinal chemistry, due to its potential biological activities, such as antimicrobial and anticancer properties. Additionally, isothiocyanates are known for their role in the defense mechanisms of certain plants, particularly cruciferous vegetables, contributing to their health benefits. As with many isothiocyanates, caution is advised when handling this compound due to its potential irritant effects on the skin and respiratory system.
Formula:C10H11NS
InChI:InChI=1/C10H11NS/c1-9-2-4-10(5-3-9)6-7-11-8-12/h2-5H,6-7H2,1H3
SMILES:Cc1ccc(cc1)CCN=C=S
Synonyms:- 1-(2-Isothiocyanatoethyl)-4-Methylbenzene
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