5-(2,6-Dichlorophenyl)-2-(Phenylsulfanyl)-6H-Pyrimido[1,6-B]Pyridazin-6-One

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Formula C19H12Cl2N3OS+
IUPAC Name 5-(2,6-dichlorophenyl)-2-phenylsulfanyl-pyrimido[1,6-b]pyridazin-9-ium-7-id-6-one
Molecular Mass 401.289 g·mol−1
Heat of Formation 321.2 ± 16.7 kJ·mol−1
Dipole Moment 7.04 ± 1.08 D
Volume 423.99 Å 3
Surface Area 359.28 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(2,6-dichlorophenyl)-2-(phenylthio)-6-pyridazino[6,1-f]pyrimidinone
  • 5-(2,6-dichlorophenyl)-2-(phenylthio)pyridazino[6,1-f]pyrimidin-6-one
  • 5-(2,6-dichlorophenyl)-2-phenylsulfanyl-pyridazino[6,1-f]pyrimidin-6-one
  • 5-(2,6-dichlorophenyl)-2-phenylsulfanylpyridazino[6,1-f]pyrimidin-6-one
CAS Number(s)
  • 209409-98-3
InChIKey HVIHYFPILKEGDC-UHFFFAOYSA-N
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