CAS 21382-98-9

4-(methylthio)benzonitrile

Description:

4-(Methylthio)benzonitrile, with the CAS number 21382-98-9, is an organic compound characterized by a benzene ring substituted with a methylthio group and a nitrile group. Its molecular structure features a thiomethyl (-S-CH3) group attached to the para position of the benzene ring, alongside a cyano (-C≡N) functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. It is known for its moderate solubility in organic solvents, such as ethanol and acetone, while being less soluble in water due to the hydrophobic nature of the aromatic ring and the methylthio group. 4-(Methylthio)benzonitrile may exhibit various chemical reactivity patterns, including nucleophilic substitution and electrophilic aromatic substitution, making it useful in synthetic organic chemistry. Additionally, it may have applications in pharmaceuticals, agrochemicals, or as an intermediate in the synthesis of other chemical compounds. Safety precautions should be taken when handling this substance, as it may pose health risks if inhaled or ingested.

Formula: C₈H₇NS

InChI: InChI=1/C8H7NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3

SMILES: CSc1ccc(cc1)C#N

Synonyms:

• 4-Cyanothioanisole~4-(Methylmercapto)benzonitrile
• 4-(Methylsulfanyl)Benzonitrile

4-(Methylthio)benzonitrile

CAS: 21382-98-9

Formula: C₈H₇NS

Purity: 98%

Color and Shape: Solid

Molecular weight: 149.2129

Ref: IN-DA003K9G

4-(Methylthio)benzonitrile

CAS: 21382-98-9

4-(Methylthio)benzonitrile

Purity: 98%

Color and Shape: Solid

Molecular weight: 149.21g/mol

Ref: 54-OR924462

4-(Methylthio)benzonitrile

CAS: 21382-98-9

Purity: 98%

Molecular weight: 149.2100067

Ref: 10-F600527

p-Methylthio benzonitrile

CAS: 21382-98-9

p-Methylthio benzonitrile is a cross-coupling reagent that is used to synthesize sulfides, sulfones, and sulfoxides. It can also be used for the synthesis of disulfide bonds. The reaction mechanism of p-Methylthio benzonitrile involves an intramolecular nucleophilic substitution reaction between the sulfur atom and the electrophilic methylene group. This product has been shown to be efficient in the synthesis of sulfonic acids from halides and alcohols, which are important intermediates in organic synthesis. The use of this product as a catalyst for such reactions may lead to new methods for producing these compounds.

Formula: C₈H₇NS

Purity: Min. 95%

Molecular weight: 149.21 g/mol

Ref: 3D-WAA38298