CAS 869950-50-5

3-{[(5-methylthiophen-2-yl)methyl]amino}benzoic acid

Description:

3-{[(5-methylthiophen-2-yl)methyl]amino}benzoic acid is an organic compound characterized by its complex structure, which includes a benzoic acid moiety and a substituted thiophene ring. The presence of the methylthio group enhances its solubility and may influence its biological activity. This compound features an amino group that is linked to a thiophene derivative, suggesting potential interactions in biological systems, particularly in medicinal chemistry. The carboxylic acid functional group contributes to its acidity and reactivity, making it a candidate for various chemical reactions, including esterification and amidation. The compound's molecular structure indicates potential applications in pharmaceuticals, particularly as a building block for drug development or as a ligand in coordination chemistry. Its unique combination of functional groups may also impart specific properties such as increased lipophilicity or enhanced binding affinity to biological targets. Overall, 3-{[(5-methylthiophen-2-yl)methyl]amino}benzoic acid represents a versatile compound with potential utility in various chemical and biological applications.

Formula: C₁₃H₁₃NO₂S

InChI: InChI=1/C13H13NO2S/c1-9-5-6-12(17-9)8-14-11-4-2-3-10(7-11)13(15)16/h2-7,14H,8H2,1H3,(H,15,16)

SMILES: Cc1ccc(CNc2cccc(c2)C(=O)O)s1

Synonyms:

• 3-{[(5-Methyl-2-thienyl)methyl]amino}benzoic acid
• Benzoic Acid, 3-[[(5-Methyl-2-Thienyl)Methyl]Amino]-