CAS 13116-87-5

7-Methoxy-2-methyl-4(3H)-quinazolinethione

Description:

7-Methoxy-2-methyl-4(3H)-quinazolinethione, with the CAS number 13116-87-5, is a chemical compound belonging to the quinazoline family, characterized by a fused bicyclic structure. This compound features a methoxy group (-OCH3) at the 7-position and a methyl group (-CH3) at the 2-position of the quinazoline ring, along with a thione functional group (–S=) at the 4-position. The presence of the thione group imparts unique reactivity and potential biological activity, making it of interest in medicinal chemistry. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential interactions with biological targets, which could be explored for pharmacological applications. Additionally, the compound's properties, such as melting point, boiling point, and spectral characteristics, can vary based on purity and environmental conditions. Overall, 7-Methoxy-2-methyl-4(3H)-quinazolinethione represents a valuable structure for further research in drug development and synthetic chemistry.

Formula: C₁₀H₁₀N₂OS

InChI: InChI=1S/C10H10N2OS/c1-6-11-9-5-7(13-2)3-4-8(9)10(14)12-6/h3-5H,1-2H3,(H,11,12,14)

InChI key: InChIKey=XZDBLENMVALAHT-UHFFFAOYSA-N

SMILES: S=C1C=2C(=CC(OC)=CC2)NC(C)=N1

Synonyms:

• 7-Methoxy-2-methyl-4(3H)-quinazolinethione
• 4(3H)-Quinazolinethione, 7-methoxy-2-methyl-
• 4(1H)-Quinazolinethione, 7-methoxy-2-methyl-