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CAS 869950-52-7

:

3-[[(3-Methyl-2-thienyl)methyl]amino]benzoic acid

Description:
3-[[(3-Methyl-2-thienyl)methyl]amino]benzoic acid, with the CAS number 869950-52-7, is an organic compound characterized by its complex structure that includes a benzoic acid moiety and a thienyl group. This compound features a thienyl ring, which is a five-membered aromatic ring containing sulfur, contributing to its unique chemical properties. The presence of the amino group indicates that it can participate in hydrogen bonding, influencing its solubility and reactivity. The methyl substitution on the thienyl ring can affect the electronic distribution and steric hindrance, potentially impacting its biological activity. As a benzoic acid derivative, it may exhibit acidic properties, allowing it to act as a weak acid in solution. This compound could be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its potential interactions with biological targets. Its specific characteristics, such as melting point, solubility, and reactivity, would need to be determined through experimental methods for practical applications.
Formula:C13H13NO2S
InChI:InChI=1S/C13H13NO2S/c1-9-5-6-17-12(9)8-14-11-4-2-3-10(7-11)13(15)16/h2-7,14H,8H2,1H3,(H,15,16)
InChI key:InChIKey=KEYWDFMSJNCJRG-UHFFFAOYSA-N
SMILES:N(CC1=C(C)C=CS1)C2=CC(C(O)=O)=CC=C2
Synonyms:
  • 3-{[(3-Methyl-2-thienyl)methyl]amino}benzoic acid
  • Benzoic Acid, 3-[[(3-Methyl-2-Thienyl)Methyl]Amino]-
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