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CAS 306935-92-2

:

1,2,5,6,7,8-Hexahydro-2-thioxo-4-(trifluoromethyl)-3-quinolinecarbonitrile

Description:
1,2,5,6,7,8-Hexahydro-2-thioxo-4-(trifluoromethyl)-3-quinolinecarbonitrile is a chemical compound characterized by its complex structure, which includes a quinoline ring system and a trifluoromethyl group. This compound features a thioxo group, indicating the presence of sulfur in a double bond with oxygen, contributing to its reactivity and potential biological activity. The hexahydro component suggests that the compound has a saturated cyclic structure, which may influence its physical properties, such as solubility and stability. The presence of the carbonitrile functional group indicates potential for nucleophilic reactivity, making it of interest in synthetic chemistry. Additionally, the trifluoromethyl group is known to enhance lipophilicity and metabolic stability, which can be advantageous in pharmaceutical applications. Overall, this compound's unique combination of functional groups and structural features may confer specific biological activities, making it a subject of interest in medicinal chemistry and drug development.
Formula:C11H9F3N2S
InChI:InChI=1S/C11H9F3N2S/c12-11(13,14)9-6-3-1-2-4-8(6)16-10(17)7(9)5-15/h1-4H2,(H,16,17)
InChI key:InChIKey=VRDUDTDTFZCTHJ-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C=1C2=C(NC(=S)C1C#N)CCCC2
Synonyms:
  • 1,2,5,6,7,8-Hexahydro-2-thioxo-4-(trifluoromethyl)-3-quinolinecarbonitrile
  • 2-Sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
  • 2-Sulfanylidene-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
  • 2-Thioxo-4-(Trifluoromethyl)-1,2,5,6,7,8-Hexahydroquinoline-3-Carbonitrile
  • 3-Quinolinecarbonitrile, 1,2,5,6,7,8-hexahydro-2-thioxo-4-(trifluoromethyl)-
  • 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
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