CAS 5331-06-6

3-[(4-methylphenyl)sulfanyl]propanenitrile

Description:

3-[(4-Methylphenyl)sulfanyl]propanenitrile, with the CAS number 5331-06-6, is an organic compound characterized by the presence of a propanenitrile group and a thioether functional group. The molecular structure features a propanenitrile moiety, which consists of a three-carbon chain terminating in a nitrile (-C≡N) group, and a 4-methylphenyl group attached via a sulfur atom, indicating the presence of a thioether linkage. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is soluble in organic solvents and may exhibit moderate stability under standard conditions. The presence of the nitrile group suggests potential reactivity in nucleophilic addition reactions, while the thioether may influence its chemical behavior and interactions with other substances. As with many organic compounds, safety precautions should be taken when handling this substance, as it may pose health risks if ingested or inhaled.

Formula: C₁₀H₁₁NS

InChI: InChI=1/C10H11NS/c1-9-3-5-10(6-4-9)12-8-2-7-11/h3-6H,2,8H2,1H3

SMILES: Cc1ccc(cc1)SCCC#N

Synonyms:

• Propanenitrile, 3-[(4-Methylphenyl)Thio]-

3-[(4-Methylphenyl)thio]propanenitrile

CAS: 5331-06-6

Formula: C₁₀H₁₁NS

Purity: 90.0%

Molecular weight: 177.27

Ref: 10-F511723