CAS 104864-66-6

Methyl 2-[(2-aminoethyl)thio]benzoate

Description:

Methyl 2-[(2-aminoethyl)thio]benzoate, identified by its CAS number 104864-66-6, is an organic compound characterized by the presence of a benzoate moiety with a methyl ester group and a thioether functional group. This compound features a benzene ring substituted with a methyl ester at one position and a 2-aminoethylthio group at another, which contributes to its potential biological activity. The thioether linkage can enhance the compound's solubility and reactivity, making it of interest in various chemical and pharmaceutical applications. Methyl 2-[(2-aminoethyl)thio]benzoate may exhibit properties such as moderate polarity, which can influence its interactions in biological systems. Additionally, the amino group in the side chain can participate in hydrogen bonding, potentially affecting its pharmacokinetic properties. Overall, this compound's unique structure suggests it may have applications in medicinal chemistry, particularly in the development of new therapeutic agents. However, specific safety and handling guidelines should be followed due to the presence of sulfur and amino functional groups.

Formula: C₁₀H₁₃NO₂S

InChI: InChI=1S/C10H13NO2S/c1-13-10(12)8-4-2-3-5-9(8)14-7-6-11/h2-5H,6-7,11H2,1H3

InChI key: InChIKey=BOKHLONMKQXQIH-UHFFFAOYSA-N

SMILES: S(CCN)C1=C(C(OC)=O)C=CC=C1

Synonyms:

• Methyl 2-[(2-aminoethyl)thio]benzoate
• Benzoic acid, 2-[(2-aminoethyl)thio]-, methyl ester