CAS 59898-61-2

3-Butyl-2,3-dihydro-5,6-dimethyl-2-thioxothieno[2,3-d]pyrimidin-4(1H)-one

Description:

3-Butyl-2,3-dihydro-5,6-dimethyl-2-thioxothieno[2,3-d]pyrimidin-4(1H)-one is a heterocyclic compound characterized by its complex structure, which includes a thieno[2,3-d]pyrimidine core. This compound features a thioxo group, contributing to its reactivity and potential biological activity. The presence of butyl and methyl substituents enhances its lipophilicity, which may influence its solubility and interaction with biological membranes. The thieno and pyrimidine rings suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as compounds with similar structures often exhibit antimicrobial, antiviral, or anticancer properties. The specific arrangement of substituents can affect the compound's electronic properties and steric hindrance, which are critical for its biological activity. Additionally, the compound's stability and reactivity can be influenced by environmental factors such as pH and temperature. Overall, 3-Butyl-2,3-dihydro-5,6-dimethyl-2-thioxothieno[2,3-d]pyrimidin-4(1H)-one represents a unique structure with potential applications in various fields of chemistry and pharmacology.

Formula: C₁₂H₁₆N₂OS₂

InChI: InChI=1/C12H16N2OS2/c1-4-5-6-14-11(15)9-7(2)8(3)17-10(9)13-12(14)16/h4-6H2,1-3H3,(H,13,16)

InChI key: InChIKey=RXPJIWZKRVZASH-UHFFFAOYSA-N

SMILES: O=C1C2=C(NC(=S)N1CCCC)SC(C)=C2C

Synonyms:

• 3-Butyl-2,3-dihydro-5,6-dimethyl-2-thioxothieno[2,3-d]pyrimidin-4(1H)-one
• 3-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
• 3-Butyl-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
• Thieno[2,3-d]pyrimidin-4(1H)-one, 3-butyl-2,3-dihydro-5,6-dimethyl-2-thioxo-

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

CAS: 59898-61-2

Versatile small molecule scaffold

Formula: C₁₂H₁₆N₂OS₂

Purity: Min. 95%

Molecular weight: 268.4 g/mol

Ref: 3D-JCA89861