CAS 59898-63-4

3-benzyl-5,6-dimethyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one

Description:

3-benzyl-5,6-dimethyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is a heterocyclic compound characterized by its unique thieno-pyrimidine structure, which incorporates both sulfur and nitrogen atoms. This compound features a thioxo group, contributing to its reactivity and potential biological activity. The presence of the benzyl group enhances its lipophilicity, which may influence its pharmacokinetic properties. The dimethyl substitutions at positions 5 and 6 of the pyrimidine ring can affect the compound's steric and electronic properties, potentially impacting its interactions with biological targets. This compound may exhibit various biological activities, making it of interest in medicinal chemistry and drug development. Its CAS number, 59898-63-4, allows for easy identification in chemical databases. As with many heterocycles, the compound's stability, solubility, and reactivity can vary based on environmental conditions and the presence of other functional groups. Further studies would be necessary to fully elucidate its properties and potential applications in pharmaceuticals or other fields.

Formula: C₁₅H₁₄N₂OS₂

InChI: InChI=1/C15H14N2OS2/c1-9-10(2)20-13-12(9)14(18)17(15(19)16-13)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,19)

SMILES: Cc1c(C)sc2c1c(=O)n(Cc1ccccc1)c(n2)S

Synonyms:

• 3-Benzyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
• 3-Benzyl-5,6-dimethyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one
• thieno[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-5,6-dimethyl-3-(phenylmethyl)-2-thioxo-
• thieno[2,3-d]pyrimidin-4(3H)-one, 2-mercapto-5,6-dimethyl-3-(phenylmethyl)-
• 3-Benzyl-5,6-dimethyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one

3-Benzyl-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

CAS: 59898-63-4

Versatile small molecule scaffold

Formula: C₁₅H₁₄N₂OS₂

Purity: Min. 95%

Molecular weight: 302.4 g/mol

Ref: 3D-JCA89863