CAS 869950-51-6

4-{[(3-methylthiophen-2-yl)methyl]amino}benzoic acid

Description:

4-{[(3-Methylthiophen-2-yl)methyl]amino}benzoic acid, identified by its CAS number 869950-51-6, is an organic compound characterized by its complex structure that includes a benzoic acid moiety and a substituted thiophene ring. This compound features an amino group that is linked to a methylthiophenyl group, which contributes to its unique chemical properties. The presence of the thiophene ring, a five-membered aromatic heterocycle containing sulfur, imparts distinct electronic and steric characteristics, potentially influencing its reactivity and solubility. The carboxylic acid functional group in the benzoic acid portion allows for hydrogen bonding and can participate in acid-base reactions. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its solubility, stability, and reactivity can vary depending on environmental conditions such as pH and temperature. Overall, 4-{[(3-methylthiophen-2-yl)methyl]amino}benzoic acid is a versatile compound with potential applications in medicinal chemistry and materials science.

Formula: C₁₃H₁₃NO₂S

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

SMILES: Cc1ccsc1CNc1ccc(cc1)C(=O)O

Synonyms:

• 4-{[(3-Methyl-2-thienyl)methyl]amino}benzoic acid
• Benzoic Acid, 4-[[(3-Methyl-2-Thienyl)Methyl]Amino]-

4-{[(3-methyl-2-thienyl)methyl]amino}benzoic acid

CAS: 869950-51-6

Formula: C₁₃H₁₃NO₂S

Purity: 95.0%

Molecular weight: 247.31

Ref: 10-F316134