CAS 61121-66-2

5-(Methylsulfinyl)pentanenitrile

Description:

5-(Methylsulfinyl)pentanenitrile, with the CAS number 61121-66-2, is an organic compound characterized by its unique functional groups. It features a pentanenitrile backbone, which includes a nitrile (-C≡N) group that contributes to its reactivity and potential applications in organic synthesis. The presence of a methylsulfinyl group (-S(=O)CH3) enhances its chemical properties, providing polar characteristics that can influence solubility and interaction with other molecules. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is soluble in polar solvents, which makes it useful in various chemical reactions and processes. The methylsulfinyl group may also impart biological activity, making it of interest in pharmaceutical research. Overall, 5-(Methylsulfinyl)pentanenitrile is a versatile compound with potential applications in both synthetic chemistry and medicinal chemistry, although specific safety and handling guidelines should be followed due to its chemical nature.

Formula: C₆H₁₁NOS

InChI: InChI=1S/C6H11NOS/c1-9(8)6-4-2-3-5-7/h2-4,6H2,1H3

InChI key: InChIKey=FGYQUFZANKOISC-UHFFFAOYSA-N

SMILES: C(CS(C)=O)CCC#N

Synonyms:

• Sulforaphane nitrile
• Sulforaphene nitrile
• 5-(Methylsulfinyl)pentanenitrile
• 1-Cyano-4-methylsulfinylbutane
• Pentanenitrile, 5-(methylsulfinyl)-

5-Methanesulfinylpentanenitrile

CAS: 61121-66-2

5-Methanesulfinylpentanenitrile is a compound that is found in plants such as broccoli, cabbage, and cauliflower. It has been shown to have anticarcinogenic properties in cell culture studies. The activity of sulforaphane can be increased by the presence of glucosinolates. Sulforaphane inhibits the synthesis of fatty acids and is metabolized by detoxification enzymes. Amides are formed from sulforaphane, which can be detected using preparative high performance liquid chromatography (prep-HPLC). The water solubility of sulforaphane can be increased by heating it to a temperature above its boiling point so that it becomes supercritical (above its critical temperature). This allows for the preparation of dry weight samples for analysis.

Formula: C₆H₁₁NOS

Purity: Min. 95%

Molecular weight: 145.23 g/mol

Ref: 3D-LCA12166