CAS 54855-81-1

2-(methylsulfanyl)quinazolin-4(1H)-one

Description:

2-(Methylsulfanyl)quinazolin-4(1H)-one, with the CAS number 54855-81-1, is a heterocyclic organic compound characterized by the presence of a quinazolinone core, which is a bicyclic structure containing both a benzene and a pyrimidine ring. The methylsulfanyl group, which is a sulfur atom bonded to a methyl group, is attached to the quinazolinone at the 2-position, influencing the compound's chemical reactivity and properties. This compound typically exhibits moderate solubility in organic solvents and may have limited solubility in water due to its hydrophobic characteristics. It is of interest in medicinal chemistry for its potential biological activities, including antimicrobial and anticancer properties. The presence of the methylsulfanyl group can enhance the lipophilicity of the molecule, potentially affecting its pharmacokinetics. As with many heterocycles, it may participate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions, making it a versatile building block in organic synthesis.

Formula: C₉H₈N₂OS

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

SMILES: CSc1nc2ccccc2c(n1)O

Synonyms:

• 2-(Methylsulfanyl)quinazolin-4(3H)-one
• 2-(methylthio)quinazolin-4(3H)-one
• 4(3H)-Quinazolinone, 2-(methylthio)-

2-(Methylthio)quinazolin-4(3H)-one

CAS: 54855-81-1

2-(Methylthio)quinazolin-4(3H)-one

Molecular weight: 192.24g/mol

Ref: 54-OR310671