CAS 59898-69-0

2,3,5,6,7,8-Hexahydro-3-(4-methylphenyl)-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

Description:

2,3,5,6,7,8-Hexahydro-3-(4-methylphenyl)-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one, with CAS number 59898-69-0, is a complex organic compound characterized by its unique bicyclic structure that incorporates both thieno and pyrimidinone moieties. This compound features a thioxo group, which contributes to its reactivity and potential biological activity. The presence of a 4-methylphenyl substituent enhances its lipophilicity, potentially influencing its pharmacokinetic properties. The hexahydro framework indicates that the compound is saturated, which may affect its stability and interaction with biological targets. Typically, such compounds are of interest in medicinal chemistry due to their potential therapeutic applications, including antimicrobial or anticancer properties. The specific arrangement of functional groups and stereochemistry can significantly influence the compound's biological activity and mechanism of action. As with many heterocyclic compounds, the synthesis and characterization of this substance would require careful consideration of reaction conditions and purification methods to ensure the desired purity and yield.

Formula: C₁₇H₁₆N₂OS₂

InChI: InChI=1S/C17H16N2OS2/c1-10-6-8-11(9-7-10)19-16(20)14-12-4-2-3-5-13(12)22-15(14)18-17(19)21/h6-9H,2-5H2,1H3,(H,18,21)

InChI key: InChIKey=YIURYXHWOANFKY-UHFFFAOYSA-N

SMILES: O=C1C=2C3=C(SC2NC(=S)N1C4=CC=C(C)C=C4)CCCC3

Synonyms:

• 2,3,5,6,7,8-Hexahydro-3-(4-methylphenyl)-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
• 2-Thioxo-3-p-tolyl-2,3,5,6,7,8-hexahydro-1H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
• 2-Mercapto-3-p-tolyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
• 3-(4-Methylphenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
• 2-Mercapto-3-p-tolyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
• [1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-3-(4-methylphenyl)-2-thioxo-
• [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-2-mercapto-3-(4-methylphenyl)-
• 3-(4-Methylphenyl)-4-oxo-2-thioxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidine

4-(4-Methylphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one

CAS: 59898-69-0

Versatile small molecule scaffold

Formula: C₁₇H₁₆N₂OS₂

Purity: Min. 95%

Molecular weight: 328.5 g/mol

Ref: 3D-JCA89869