CAS 125240-16-6

2,6-Diamino-4-(4-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile

Description:

2,6-Diamino-4-(4-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile is a chemical compound characterized by its unique structure, which includes a thiopyran ring, multiple amino groups, and dicarbonitrile functionalities. This compound features a fluorophenyl substituent, which can influence its electronic properties and reactivity. The presence of amino groups suggests potential for hydrogen bonding and reactivity in various chemical reactions, making it a candidate for applications in pharmaceuticals or agrochemicals. The dicarbonitrile groups contribute to its potential as a versatile building block in organic synthesis, as they can participate in nucleophilic addition reactions. Additionally, the thiopyran ring may impart specific biological activities or properties, depending on the context of its use. Overall, this compound's characteristics, including its molecular structure and functional groups, suggest it may have significant utility in medicinal chemistry or material science, although specific applications would depend on further research and development.

Formula: C₁₃H₉FN₄S

InChI: InChI=1S/C13H9FN4S/c14-8-3-1-7(2-4-8)11-9(5-15)12(17)19-13(18)10(11)6-16/h1-4,11H,17-18H2

InChI key: InChIKey=COKULEMWHPDYJD-UHFFFAOYSA-N

SMILES: C(#N)C=1C(C(C#N)=C(N)SC1N)C2=CC=C(F)C=C2

Synonyms:

• 4H-Thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(4-fluorophenyl)-
• 2,6-Diamino-4-(4-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile