3-(6-Methyl-2-Pyridinyl)-N-Phenyl-4-(4-Quinolinyl)-1H-Pyrazole-1-Carbothioamide

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Properties Simple | Detailed

Formula C25H19N5S
IUPAC Name 3-(6-methyl-2-pyridyl)-n-phenyl-4-(4-quinolyl)pyrazol-1-ium-2-ide-1-carbothioamide
Molecular Mass 421.517 g·mol−1
Heat of Formation 733.0 ± 16.7 kJ·mol−1
Dipole Moment 6.44 ± 1.08 D
Volume 491.93 Å 3
Surface Area 426.09 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(6-methyl-2-pyridyl)-n-phenyl-4-(4-quinolyl)-1-pyrazolecarbothioamide
  • 3-(6-methyl-2-pyridyl)-n-phenyl-4-(4-quinolyl)pyrazole-1-carbothioamide
  • 3-(6-methylpyridin-2-yl)-1-phenylthiocarbamoyl-4-quinolin-4-ylpyrazole
  • 3-(6-methylpyridin-2-yl)-n-phenyl-4-quinolin-4-yl-pyrazole-1-carbothioamide
  • 3-(6-methylpyridin-2-yl)-n-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide
  • a-83-01
InChIKey HIJMSZGHKQPPJS-UHFFFAOYSA-N
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