CAS 881441-17-4

4-{[(thiophen-3-ylmethyl)amino]methyl}benzoic acid

Description:

4-{[(Thiophen-3-ylmethyl)amino]methyl}benzoic acid, identified by its CAS number 881441-17-4, is an organic compound characterized by the presence of both a benzoic acid moiety and a thiophene ring. This compound features an amino group that is linked to a thiophen-3-ylmethyl group, which contributes to its unique chemical properties. The benzoic acid portion provides acidic characteristics, allowing it to participate in various chemical reactions, such as esterification or amidation. The thiophene ring, known for its aromatic properties, can enhance the compound's stability and influence its electronic properties, making it potentially useful in organic electronics or as a building block in pharmaceuticals. The presence of both hydrophilic (carboxylic acid) and hydrophobic (thiophene) components suggests that this compound may exhibit interesting solubility characteristics, which could be relevant in drug formulation or material science. Overall, its structural features indicate potential applications in medicinal chemistry and materials development.

Formula: C₁₃H₁₃NO₂S

InChI: InChI=1/C13H13NO2S/c15-13(16)12-3-1-10(2-4-12)7-14-8-11-5-6-17-9-11/h1-6,9,14H,7-8H2,(H,15,16)

SMILES: c1cc(ccc1CNCc1ccsc1)C(=O)O

Synonyms:

• 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid
• Benzoic Acid, 4-[[(3-Thienylmethyl)Amino]Methyl]-