CAS 1097125-23-9

α-[(3,4-Difluorophenyl)thio]benzeneacetic acid

Description:

α-[(3,4-Difluorophenyl)thio]benzeneacetic acid is a chemical compound characterized by its unique structure, which includes a benzeneacetic acid moiety substituted with a thioether group containing a difluorophenyl ring. This compound typically exhibits properties associated with both aromatic and aliphatic functionalities, contributing to its potential reactivity and solubility characteristics. The presence of the difluorophenyl group may enhance lipophilicity and influence biological activity, making it of interest in medicinal chemistry. The thioether linkage can also impart distinct electronic properties, potentially affecting the compound's interaction with biological targets. Additionally, the carboxylic acid functional group is likely to confer acidic properties, allowing for protonation and deprotonation under varying pH conditions. Overall, α-[(3,4-Difluorophenyl)thio]benzeneacetic acid is a compound that may exhibit interesting chemical behavior and biological activity, warranting further investigation in pharmaceutical and chemical research contexts.

Formula: C₁₄H₁₀F₂O₂S

InChI: InChI=1S/C14H10F2O2S/c15-11-7-6-10(8-12(11)16)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)

InChI key: InChIKey=QZXBDUATFRTRPZ-UHFFFAOYSA-N

SMILES: C(SC1=CC(F)=C(F)C=C1)(C(O)=O)C2=CC=CC=C2

Synonyms:

• Benzeneacetic acid, α-[(3,4-difluorophenyl)thio]-
• α-[(3,4-Difluorophenyl)thio]benzeneacetic acid

2-[(3,4-Difluorophenyl)sulfanyl]-2-phenylacetic acid

CAS: 1097125-23-9

Versatile small molecule scaffold

Formula: C₁₄H₁₀F₂O₂S

Purity: Min. 95%

Molecular weight: 280.29 g/mol

Ref: 3D-XTB12523