CAS 1189749-69-6

6-(1H-Pyrrol-2-yl)-2(1H)-pyrimidinethione

Description:

6-(1H-Pyrrol-2-yl)-2(1H)-pyrimidinethione, identified by its CAS number 1189749-69-6, is a heterocyclic compound featuring both pyrrole and pyrimidine moieties. This compound is characterized by the presence of a thione functional group, which is a sulfur-containing analogue of a ketone. The molecular structure includes a pyrrol-2-yl group attached to the 6-position of the pyrimidinethione, contributing to its unique chemical properties. It is likely to exhibit properties typical of thiones, such as potential reactivity in nucleophilic substitution reactions and the ability to form coordination complexes with metal ions. The compound may also display biological activity, making it of interest in medicinal chemistry and drug development. Its solubility, stability, and reactivity can vary depending on the solvent and environmental conditions. Overall, 6-(1H-Pyrrol-2-yl)-2(1H)-pyrimidinethione represents a class of compounds that could have applications in various fields, including pharmaceuticals and materials science.

Formula: C₈H₇N₃S

InChI: InChI=1S/C8H7N3S/c12-8-10-5-3-7(11-8)6-2-1-4-9-6/h1-5,9H,(H,10,11,12)

InChI key: InChIKey=SVEVHLYIRDEOKB-UHFFFAOYSA-N

SMILES: S=C1NC(=CC=N1)C2=CC=CN2

Synonyms:

• 2(1H)-Pyrimidinethione, 6-(1H-pyrrol-2-yl)-
• 6-(1H-Pyrrol-2-yl)-2(1H)-pyrimidinethione