CAS 1461714-52-2

2-[(4-Chlorophenyl)thio]-5-methylbenzonitrile

Description:

2-[(4-Chlorophenyl)thio]-5-methylbenzonitrile, identified by its CAS number 1461714-52-2, is an organic compound characterized by its aromatic structure and functional groups. It features a benzonitrile moiety, which includes a cyano group (-C≡N) attached to a benzene ring, contributing to its chemical reactivity and potential applications in organic synthesis. The presence of a thioether linkage, specifically a sulfur atom bonded to a phenyl group (4-chlorophenyl), enhances its properties, such as solubility and stability. The methyl group at the 5-position of the benzonitrile ring introduces steric effects that can influence its reactivity and interaction with other molecules. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its chlorinated aromatic component can also impart unique electronic properties, potentially affecting its behavior in various chemical environments. Overall, 2-[(4-Chlorophenyl)thio]-5-methylbenzonitrile is a versatile compound with applications in medicinal chemistry and materials science.

Formula: C₁₄H₁₀ClNS

InChI: InChI=1S/C14H10ClNS/c1-10-2-7-14(11(8-10)9-16)17-13-5-3-12(15)4-6-13/h2-8H,1H3

InChI key: InChIKey=NNVRPJGYQNIMJJ-UHFFFAOYSA-N

SMILES: S(C1=C(C#N)C=C(C)C=C1)C2=CC=C(Cl)C=C2

Synonyms:

• Benzonitrile, 2-[(4-chlorophenyl)thio]-5-methyl-
• 2-[(4-Chlorophenyl)thio]-5-methylbenzonitrile

2-[(4-Chlorophenyl)sulfanyl]-5-methylbenzonitrile

CAS: 1461714-52-2

Versatile small molecule scaffold

Formula: C₁₄H₁₀ClNS

Purity: Min. 95%

Molecular weight: 259.8 g/mol

Ref: 3D-LIC71452