CAS 1104793-77-2

α-Amino-4-[(trifluoromethyl)thio]benzeneacetic acid

Description:

α-Amino-4-[(trifluoromethyl)thio]benzeneacetic acid, identified by its CAS number 1104793-77-2, is an organic compound characterized by the presence of an amino group and a benzene ring substituted with a trifluoromethylthio group. This compound features a carboxylic acid functional group, which contributes to its acidic properties. The trifluoromethylthio group enhances the compound's lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The presence of the amino group allows for potential interactions in biological systems, such as hydrogen bonding and ionic interactions. Additionally, the trifluoromethyl group is known for its electron-withdrawing properties, which can affect the reactivity and stability of the compound. Overall, α-Amino-4-[(trifluoromethyl)thio]benzeneacetic acid exhibits unique chemical characteristics that may be leveraged in various applications, particularly in medicinal chemistry and material science.

Formula: C₉H₈F₃NO₂S

InChI: InChI=1S/C9H8F3NO2S/c10-9(11,12)16-6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)

InChI key: InChIKey=YZMCWXXDCWXRPT-UHFFFAOYSA-N

SMILES: S(C(F)(F)F)C1=CC=C(C(C(O)=O)N)C=C1

Synonyms:

• α-Amino-4-[(trifluoromethyl)thio]benzeneacetic acid
• Benzeneacetic acid, α-amino-4-[(trifluoromethyl)thio]-

2-Amino-2-{4-[(trifluoromethyl)sulfanyl]phenyl}acetic acid

CAS: 1104793-77-2

Versatile small molecule scaffold

Formula: C₉H₈F₃NO₂S

Purity: Min. 95%

Molecular weight: 251.23 g/mol

Ref: 3D-EUB79377