N''-[(E)-(2-Hydroxy-4-Oxo-2,5-Cyclohexadien-1-Ylidene)Methyl]-N'''-[(E)-Phenyl(2-Pyridinyl)Methylene]Thiocarbonohydrazide

Molecule SVG Image

Properties Simple | Detailed

Formula C20H17N5O2S
IUPAC Name 1-[[(e)-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-[(e)-[phenyl(2-pyridyl)methylene]amino]thiourea
Molecular Mass 391.446 g·mol−1
Heat of Formation 427.1 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 460.71 Å 3
Surface Area 373.42 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(phenyl-2-pyridyl)carbylidene-5-resorcylidenethiocarbohydrazone
  • 1-pprt
  • 3-[[(e)-(2-hydroxy-4-keto-1-cyclohexa-2,5-dienylidene)methyl]amino]-1-[[phenyl-(2-pyridyl)methylene]amino]thiourea
  • 3-[[(e)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-1-[(phenyl-pyridin-2-yl-methylidene)amino]thiourea
  • 3-[[(e)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-1-[(phenyl-pyridin-2-ylmethylidene)amino]thiourea
  • 3-[[(e)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-1-[[phenyl-(2-pyridyl)methylene]amino]thiourea
CAS Number(s)
  • 127716-72-7
InChIKey GCAWXZQCCKPHDQ-GCEDBABMSA-N
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