CAS 1213330-67-6

Methyl (βS)-β-amino-3-(methylthio)benzenepropanoate

Description:

Methyl (βS)-β-amino-3-(methylthio)benzenepropanoate, identified by its CAS number 1213330-67-6, is an organic compound characterized by its structural features that include an amino group, a methylthio group, and an ester functional group. This compound belongs to the class of amino acid derivatives and is typically used in biochemical research and synthesis. Its molecular structure suggests it may exhibit both hydrophilic and hydrophobic properties due to the presence of the amino and methylthio groups, which can influence its solubility and reactivity. The stereochemistry indicated by the (βS) designation suggests that it has a specific spatial arrangement that may affect its biological activity and interactions with other molecules. As with many organic compounds, its reactivity can be influenced by environmental factors such as pH and temperature. Overall, this compound's unique combination of functional groups makes it a subject of interest in medicinal chemistry and related fields.

Formula: C₁₁H₁₅NO₂S

InChI: InChI=1S/C11H15NO2S/c1-14-11(13)7-10(12)8-4-3-5-9(6-8)15-2/h3-6,10H,7,12H2,1-2H3/t10-/m0/s1

InChI key: InChIKey=XZGFZYZEOTXDME-JTQLQIEISA-N

SMILES: [C@@H](CC(OC)=O)(N)C1=CC(SC)=CC=C1

Synonyms:

• Methyl (βS)-β-amino-3-(methylthio)benzenepropanoate
• Benzenepropanoic acid, β-amino-3-(methylthio)-, methyl ester, (βS)-