CymitQuimica logo

CAS 2627-27-2

:

3-Phenylpropyl isothiocyanate

Description:
3-Phenylpropyl isothiocyanate is an organic compound characterized by the presence of an isothiocyanate functional group attached to a phenylpropyl chain. It is typically a colorless to pale yellow liquid with a pungent odor, reminiscent of mustard or horseradish, due to the isothiocyanate moiety. This compound is known for its potential biological activities, including antimicrobial and anticancer properties, making it of interest in pharmaceutical and agricultural research. Its chemical structure consists of a phenyl group (a benzene ring) linked to a propyl chain, with the isothiocyanate group (-N=C=S) at the terminal position. 3-Phenylpropyl isothiocyanate is soluble in organic solvents but has limited solubility in water. It is important to handle this compound with care, as isothiocyanates can be irritants and may pose health risks upon exposure. The compound's reactivity is influenced by the presence of the isothiocyanate group, which can participate in various chemical reactions, including nucleophilic substitutions and reactions with thiols.
Formula:C10H11NS
InChI:InChI=1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
InChI key:InChIKey=GRUOGLPIAPZLHJ-UHFFFAOYSA-N
SMILES:C(CCN=C=S)C1=CC=CC=C1
Synonyms:
  • (3-Isothiocyanatopropyl)Benzene
  • Benzene, (3-isothiocyanatopropyl)-
  • Isothiocyanato-3-phenylpropane
  • Isothiocyanic acid, 3-phenylpropyl ester
  • Phenylpropyl mustard oil
  • 3-Phenylpropyl isothiocyanate
Sort by
Purity (%)
0
100
|
0
|
50
|
90
|
95
|
100
Found 5 products.