2-[(E)-(6-Oxo-2,4-Cyclohexadien-1-Ylidene)Methyl]Hydrazinecarbothioamide

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Properties Simple | Detailed

Formula C8H9N3OS
IUPAC Name [[(e)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea
Molecular Mass 195.242 g·mol−1
Heat of Formation 181.2 ± 16.7 kJ·mol−1
Dipole Moment 6.23 ± 1.08 D
Volume 225.52 Å 3
Surface Area 224.49 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.86 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2-hydroxyphenyl)methylene]hydrazinecarbothioamide
  • 2-hydroxybenzaldehyde thiosemicarbazone
  • [(6-keto-1-cyclohexa-2,4-dienylidene)methylamino]thiourea
  • [(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea
  • [[(e)-(6-keto-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea
  • [[(e)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea
InChIKey TWJNYQYKLVMPRX-AATRIKPKSA-N
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