CAS 116137-75-8

6-(2-Thienyl)-2,4(1H,3H)-pyrimidinedione

Description:

6-(2-Thienyl)-2,4(1H,3H)-pyrimidinedione, with the CAS number 116137-75-8, is a heterocyclic organic compound characterized by its pyrimidinedione core, which features a thienyl substituent at the 6-position. This compound typically exhibits a planar structure due to the conjugated system, which can contribute to its electronic properties and potential reactivity. The presence of the thienyl group introduces sulfur into the molecular framework, potentially influencing its solubility and interaction with biological targets. Pyrimidinediones are known for their ability to participate in various chemical reactions, including nucleophilic substitutions and cycloadditions. Additionally, compounds of this class may exhibit biological activity, making them of interest in medicinal chemistry. The compound's stability, solubility, and reactivity can vary based on environmental conditions such as pH and solvent polarity. Overall, 6-(2-Thienyl)-2,4(1H,3H)-pyrimidinedione represents a versatile structure with potential applications in pharmaceuticals and materials science.

Formula: C₈H₆N₂O₂S

InChI: InChI=1S/C8H6N2O2S/c11-7-4-5(9-8(12)10-7)6-2-1-3-13-6/h1-4H,(H2,9,10,11,12)

InChI key: InChIKey=KTUATLIOJJVVNH-UHFFFAOYSA-N

SMILES: O=C1C=C(NC(=O)N1)C2=CC=CS2

Synonyms:

• 6-(2-Thienyl)-2,4(1H,3H)-pyrimidinedione
• 2,4(1H,3H)-Pyrimidinedione, 6-(2-thienyl)-