CAS 102423-75-6

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

Description:

2,6-Diamino-4-(4-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile is a synthetic organic compound characterized by its complex structure, which includes a thiopyran ring and multiple functional groups. The presence of two amino groups (–NH2) suggests it may exhibit basic properties and potential for hydrogen bonding, influencing its solubility and reactivity. The chlorophenyl substituent indicates that the compound may possess significant lipophilicity, potentially affecting its biological activity and interaction with other molecules. The dicarbonitrile groups (–C≡N) contribute to its reactivity, making it a candidate for various chemical transformations. This compound may be of interest in medicinal chemistry, particularly for its potential pharmacological properties, as compounds with similar structures often exhibit diverse biological activities. Additionally, its stability and reactivity can be influenced by environmental factors such as pH and temperature. Overall, 2,6-Diamino-4-(4-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile represents a unique chemical entity with potential applications in research and industry.

Formula: C₁₃H₉ClN₄S

InChI: InChI=1S/C13H9ClN4S/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=RKTNHDSJVMYSPC-UHFFFAOYSA-N

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

Synonyms:

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