CAS 744203-98-3

2-[(5-Phenylthieno[2,3-d]pyrimidin-4-yl)thio]benzoic acid

Description:

2-[(5-Phenylthieno[2,3-d]pyrimidin-4-yl)thio]benzoic acid is a chemical compound characterized by its complex structure, which includes a thieno[2,3-d]pyrimidine moiety and a benzoic acid functional group. This compound features a phenyl group attached to the thieno-pyrimidine, contributing to its aromatic properties and potential biological activity. The presence of the thioether linkage (–S–) indicates that it may exhibit unique reactivity and interactions in various chemical environments. As a benzoic acid derivative, it possesses acidic properties, which can influence its solubility and reactivity in different solvents. The compound may be of interest in medicinal chemistry due to its potential pharmacological applications, particularly in targeting specific biological pathways. Its structural complexity suggests that it could participate in various chemical reactions, making it a candidate for further research in drug development or material science. Overall, this compound exemplifies the intricate interplay between structure and function in organic chemistry.

Formula: C₁₉H₁₂N₂O₂S₂

InChI: InChI=1S/C19H12N2O2S2/c22-19(23)13-8-4-5-9-15(13)25-18-16-14(12-6-2-1-3-7-12)10-24-17(16)20-11-21-18/h1-11H,(H,22,23)

InChI key: InChIKey=QNAVYABNYJQGGZ-UHFFFAOYSA-N

SMILES: S(C1=C2C(=CSC2=NC=N1)C3=CC=CC=C3)C4=C(C(O)=O)C=CC=C4

Synonyms:

• 2-[(5-Phenylthieno[2,3-d]pyrimidin-4-yl)thio]benzoic acid
• Benzoic acid, 2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]-