N''-[(E)-(6-Oxo-2,4-Cyclohexadien-1-Ylidene)Methyl]-N'''-[(E)-Phenyl(2-Pyridinyl)Methylene]Thiocarbonohydrazide

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Properties Simple | Detailed

Formula C20H17N5OS
IUPAC Name 1-[[(e)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-[(e)-[phenyl(2-pyridyl)methylene]amino]thiourea
Molecular Mass 375.447 g·mol−1
Heat of Formation 600.7 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 446.48 Å 3
Surface Area 360.31 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(phenyl-2-pyridyl)carbylidene-5-salicylidenethiocarbohydrazone
  • 1-ppst
  • 3-[[(e)-(6-keto-1-cyclohexa-2,4-dienylidene)methyl]amino]-1-[[phenyl-(2-pyridyl)methylene]amino]thiourea
  • 3-[[(e)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-1-[(phenyl-pyridin-2-yl-methylidene)amino]thiourea
  • 3-[[(e)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-1-[[phenyl-(2-pyridyl)methylene]amino]thiourea
CAS Number(s)
  • 142047-99-2
InChIKey OKRSJWSBSPONJA-WKTFSJQUSA-N
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