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

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Properties Simple | Detailed

Formula C8H9N3OS
IUPAC Name [[(z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea
Molecular Mass 195.242 g·mol−1
Heat of Formation 153.6 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 223.69 Å 3
Surface Area 220.81 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • [[(z)-(6-keto-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea
  • [[(z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea
  • hydrazinecarbothioamide, 2-((2-hydroxyphenyl)methylene)-
  • hydrazinecarbothioamide, 2-[(2-hydroxyphenyl)methylene]-
  • o-hydroxybenzaldehyde thiosemicarbazone
  • salicylaldehyde thiosemicarbazone
  • salicylaldehyde, thiosemicarbazone
  • salicylic aldehyde thiosemicarbazone
CAS Number(s)
  • 5351-90-6
InChIKey TWJNYQYKLVMPRX-WAYWQWQTSA-N
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