3-Pyridinecarbothioamide

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Properties Simple | Detailed

Formula C6H6N2S
IUPAC Name pyridine-3-carbothioamide
Molecular Mass 138.190 g·mol−1
Heat of Formation 208.6 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 163.37 Å 3
Surface Area 166.47 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
Synonyms
  • 3-pyridinethiocarboxamide
  • 3-pyridylthioformamide
  • 3-thioamidopyridine
  • 3-thiocarbamoylpyridine
  • amino-3-pyridylmethane-1-thione
  • nicotinamide, thio-
  • nicotinothioamide
  • t5215267
  • thio-3-pyridinecarboxamide
  • thionicotinamide
CAS Number(s)
  • 4621-66-3
InChIKey XQWBMZWDJAZPPX-UHFFFAOYSA-N
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