CAS 13116-88-6

6-Methoxy-4(3H)-quinazolinethione

Description:

6-Methoxy-4(3H)-quinazolinethione, identified by its CAS number 13116-88-6, is a heterocyclic organic compound featuring a quinazoline core. This compound is characterized by the presence of a methoxy group (-OCH3) at the 6-position and a thione functional group (C=S) at the 4-position of the quinazoline ring. Its molecular structure contributes to its potential biological activity, making it of interest in medicinal chemistry. The thione group can participate in various chemical reactions, including nucleophilic attacks, and may influence the compound's reactivity and stability. Additionally, the methoxy substituent can enhance lipophilicity, potentially affecting the compound's pharmacokinetics and bioavailability. 6-Methoxy-4(3H)-quinazolinethione may exhibit various properties such as solubility in organic solvents and moderate stability under standard conditions. Its unique structural features suggest potential applications in drug development, particularly in targeting specific biological pathways or diseases. However, further studies are necessary to fully elucidate its properties and therapeutic potential.

Formula: C₉H₈N₂OS

InChI: InChI=1S/C9H8N2OS/c1-12-6-2-3-8-7(4-6)9(13)11-5-10-8/h2-5H,1H3,(H,10,11,13)

InChI key: InChIKey=DDALNHCVUALHJS-UHFFFAOYSA-N

SMILES: S=C1C=2C(=CC=C(OC)C2)NC=N1

Synonyms:

• 6-Methoxy-4(3H)-quinazolinethione
• 4(3H)-Quinazolinethione, 6-methoxy-