CAS 71504-04-6

2-(Methylthio)-4H-1-benzothiopyran-4-one

Description:

2-(Methylthio)-4H-1-benzothiopyran-4-one, identified by its CAS number 71504-04-6, is a chemical compound that belongs to the class of benzothiopyrans, which are characterized by a fused benzene and thiopyran ring structure. This compound features a methylthio group, which contributes to its unique chemical properties. It typically exhibits a yellow to orange coloration and is soluble in organic solvents. The presence of the thiopyran ring suggests potential reactivity, particularly in nucleophilic substitution reactions, and it may also exhibit biological activity, making it of interest in pharmaceutical research. The compound's structure allows for various functionalization possibilities, which can lead to derivatives with enhanced properties. Its stability and reactivity can be influenced by environmental factors such as pH and temperature. Overall, 2-(Methylthio)-4H-1-benzothiopyran-4-one is a compound of interest in both synthetic organic chemistry and medicinal chemistry due to its unique structural features and potential applications.

Formula: C₁₀H₈OS₂

InChI: InChI=1S/C10H8OS2/c1-12-10-6-8(11)7-4-2-3-5-9(7)13-10/h2-6H,1H3

InChI key: InChIKey=HEYIFIUEHPBBSC-UHFFFAOYSA-N

SMILES: O=C1C=2C(SC(SC)=C1)=CC=CC2

Synonyms:

• 2-(Methylthio)-4H-1-benzothiopyran-4-one
• 4H-1-Benzothiopyran-4-one, 2-(methylthio)-
• 2-(Methylthio)-4H-thiochromen-4-one
• 2-Methylthio-4-oxo-4H-1-benzothiopyran