CAS 857495-79-5

7-(1,1-Dimethylethyl)-2,3-dihydro-3-phenyl-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

Description:

The chemical substance known as 7-(1,1-Dimethylethyl)-2,3-dihydro-3-phenyl-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one, with the CAS number 857495-79-5, is a heterocyclic compound featuring a complex structure that includes a benzothieno-pyrimidinone core. This compound is characterized by the presence of a thioxo group, which contributes to its reactivity and potential biological activity. The dimethylethyl group enhances its lipophilicity, potentially influencing its solubility and permeability in biological systems. The phenyl group attached to the dihydro structure may also play a role in its interactions with biological targets. Such compounds are often investigated for their pharmacological properties, including anti-inflammatory, antimicrobial, or anticancer activities. The specific characteristics, such as melting point, solubility, and spectral data, would typically be determined through experimental methods and may vary based on the conditions under which they are measured. Overall, this compound represents a class of molecules that could have significant implications in medicinal chemistry and drug development.

Formula: C₂₀H₁₈N₂OS₂

InChI: InChI=1S/C20H18N2OS2/c1-20(2,3)12-9-10-14-15(11-12)25-17-16(14)18(23)22(19(24)21-17)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,21,24)

InChI key: InChIKey=FVSBBMRTQHNRFA-UHFFFAOYSA-N

SMILES: O=C1C=2C=3C(SC2NC(=S)N1C4=CC=CC=C4)=CC(C(C)(C)C)=CC3

Synonyms:

• 7-(1,1-Dimethylethyl)-2,3-dihydro-3-phenyl-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
• [1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 7-(1,1-dimethylethyl)-2,3-dihydro-3-phenyl-2-thioxo-