N''-(Di-2-Pyridinylmethylene)-N'''-[(E)-(6-Oxo-2,4-Cyclohexadien-1-Ylidene)Methyl]Thiocarbonohydrazide

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Properties Simple | Detailed

Formula C19H18N6OS
IUPAC Name 1-[bis(3h-pyridin-1-ium-3-id-2-yl)methyleneamino]-3-[[(e)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea
Molecular Mass 378.451 g·mol−1
Heat of Formation 617.4 ± 16.7 kJ·mol−1
Dipole Moment 8.56 ± 1.08 D
Volume 435.26 Å 3
Surface Area 397.39 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -1.72 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(di-(2-pyridyl)methylene)-5-salicylidenethiocarbonohydrazide
  • 1-[bis(2-pyridyl)methyleneamino]-3-[[(e)-(6-keto-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea
  • 1-[bis(2-pyridyl)methyleneamino]-3-[[(e)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea
  • 1-[di(pyridin-2-yl)methylideneamino]-3-[[(e)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea
  • dpst
CAS Number(s)
  • 108100-42-1
InChIKey AXCAAJLNAOUPEJ-BUHFOSPRSA-N
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