CAS 178270-52-5

2-[[(4-Cyanophenyl)methyl]thio]acetic acid

Description:

2-[[(4-Cyanophenyl)methyl]thio]acetic acid, with the CAS number 178270-52-5, is an organic compound characterized by its unique structure, which includes a thioether linkage and a carboxylic acid functional group. This compound features a cyanophenyl group, which contributes to its potential electronic and steric properties. The presence of the thioether (-S-) group enhances its reactivity and solubility in various organic solvents. As a carboxylic acid, it exhibits acidic properties, allowing it to participate in various chemical reactions, such as esterification and amidation. The compound may also exhibit biological activity, making it of interest in pharmaceutical research. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of new therapeutic agents. Additionally, the presence of the cyano group may impart specific interactions with biological targets, enhancing its utility in drug design. Overall, 2-[[(4-Cyanophenyl)methyl]thio]acetic acid is a versatile compound with significant implications in both synthetic and medicinal chemistry.

Formula: C₁₀H₉NO₂S

InChI: InChI=1S/C10H9NO2S/c11-5-8-1-3-9(4-2-8)6-14-7-10(12)13/h1-4H,6-7H2,(H,12,13)

InChI key: InChIKey=YAPZRBCKDSHRQX-UHFFFAOYSA-N

SMILES: C(SCC(O)=O)C1=CC=C(C#N)C=C1

2-{[(4-Cyanophenyl)methyl]sulfanyl}acetic acid

CAS: 178270-52-5

Versatile small molecule scaffold

Formula: C₁₀H₉NO₂S

Purity: Min. 95%

Molecular weight: 207.25 g/mol

Ref: 3D-DHA27052