3-Aminopyridine-2-Carboxaldehyde Thiosemicarbazone

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Properties Simple | Detailed

Formula C7H9N5S
IUPAC Name [(e)-(3-amino-2-pyridyl)methyleneamino]thiourea
Molecular Mass 195.245 g·mol−1
Heat of Formation 345.9 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 226.55 Å 3
Surface Area 225.93 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 3-aminopyridine-2-carboxaldehyde- thiosemicarbazone
  • 3-apct
  • [(3-amino-2-pyridyl)methyleneamino]thiourea
  • [(3-aminopyridin-2-yl)methylideneamino]thiourea
  • hydrazinecarbothioamide, 2-((3-amino-2-pyridinyl)methylene)-
  • ocx 191
  • triapine
CAS Number(s)
  • 143621-35-6
  • 236392-56-6
InChIKey XMYKNCNAZKMVQN-NYYWCZLTSA-N
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