CAS 112672-69-2

[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid

Description:

The chemical substance known as [(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid, with the CAS number 112672-69-2, is characterized by its complex molecular structure that includes a benzothieno-pyrimidine core. This compound features a sulfanyl (thioether) group attached to an acetic acid moiety, which contributes to its potential reactivity and biological activity. The presence of the hexahydro structure indicates that it is a saturated derivative, which may influence its solubility and stability. The oxo group suggests the presence of a carbonyl functionality, which can participate in various chemical reactions. This compound may exhibit pharmacological properties, making it of interest in medicinal chemistry. Its unique structural features could lead to specific interactions with biological targets, potentially influencing its therapeutic applications. Overall, the compound's characteristics, including its functional groups and structural complexity, suggest a diverse range of chemical behavior and potential utility in various fields, including pharmaceuticals and organic synthesis.

Formula: C₁₂H₁₂N₂O₃S₂

InChI: InChI=1/C12H12N2O3S2/c15-8(16)5-18-12-13-10(17)9-6-3-1-2-4-7(6)19-11(9)14-12/h1-5H2,(H,15,16)(H,13,14,17)

SMILES: C1CCc2c(C1)c1c(nc(nc1s2)SCC(=O)O)O

Synonyms:

• Acetic acid, 2-[(3,4,5,6,7,8-hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]-
• [(4-Oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid