Tcmdc-123475

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Properties Simple | Detailed

Formula C9H12N4S
IUPAC Name 1-methyl-3-[(e)-1-(2-pyridyl)ethylideneamino]thiourea
Molecular Mass 208.283 g·mol−1
Heat of Formation 293.2 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 252.04 Å 3
Surface Area 247.26 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
Synonyms
  • (1e)-1-(2-pyridinyl)ethanone n-methylthiosemicarbazone
  • 2-acetylpyridine-4-methyl-3-thiosemicarbazone
  • 3-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea
  • 3-methyl-1-[1-(2-pyridyl)ethylideneamino]thiourea
  • 4-methyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide
  • hydrazinecarbothioamide, n-methyl-2-[1-(2-pyridinyl)ethylidene]-
  • ketone, methyl 2-pyridyl, 4-methyl-3-thiosemicarbazone
  • semicarbazide, 4-methyl-1-(1-(2-pyridyl)ethylidene)-3-thio-
CAS Number(s)
  • 75013-64-8
InChIKey KDNWDIABXHFHBK-KPKJPENVSA-N
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