2-{(E)-[5-(Hydroxymethyl)-2-Methyl-3-Oxo-4(3H)-Pyridinylidene]Methyl}Hydrazinecarbothioamide

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Properties Simple | Detailed

Formula C9H12N4O2S
IUPAC Name [[(e)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methyl]amino]thiourea
Molecular Mass 240.282 g·mol−1
Heat of Formation -30.8 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 267.7 Å 3
Surface Area 253.03 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
Synonyms
  • 4-formyl-3-hydroxy-5-hydroxymethyl-2-methylpyridine thiosemicarbazone
  • [(3-keto-2-methyl-5-methylol-4-pyridylidene)methylamino]thiourea
  • [[(e)-(3-keto-2-methyl-5-methylol-4-pyridylidene)methyl]amino]thiourea
  • [[(e)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methyl]amino]thiourea
  • [[(e)-[5-(hydroxymethyl)-2-methyl-3-oxo-pyridin-4-ylidene]methyl]amino]thiourea
  • [[(e)-[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methyl]amino]thiourea
  • [[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methylamino]thiourea
  • [[5-(hydroxymethyl)-2-methyl-3-oxo-pyridin-4-ylidene]methylamino]thiourea
  • [[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methylamino]thiourea
  • hydrazinecarbothioamide, 2-((3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl)methylene)-
  • pyridoxal thiosemicarbazone
CAS Number(s)
  • 3814-80-0
InChIKey VNCSYXZWQNJVJA-XVNBXDOJSA-N
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