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

Benzene, (3-isothiocyanatopropyl)-

CAS: 2627-27-2

Formula: C₁₀H₁₁NS

Purity: 98%

Molecular weight: 177.2660

Ref: IN-DA002SJL

3-Phenylpropyl isothiocyanate

CAS: 2627-27-2

3-Phenylpropyl isothiocyanate

Molecular weight: 177.26604g/mol

Ref: 54-OR1021549

3-Phenylpropyl isothiocyanate

CAS: 2627-27-2

3-Phenylpropyl isothiocyanate

Purity: ≥98%

Molecular weight: 177.27g/mol

Ref: 54-BUP09326

3-Phenylpropyl isothiocyanate

CAS: 2627-27-2

3-Phenylpropyl isothiocyanate strongly inhibits NMBA-induced cancer growth, showing chemoprevention.

Formula: C₁₀H₁₁NS

Purity: 99.82%

Color and Shape: Solid

Molecular weight: 177.27

Ref: TM-T40253

3-Phenylpropylisothiocyanate

CAS: 2627-27-2

Formula: C₁₀H₁₁NS

Purity: ≥98%

Color and Shape: Liquid, Clear

Molecular weight: 177.27

Ref: 10-F009566