3-Pyridinylmethanethiol

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Properties Simple | Detailed

Formula C6H7NS
IUPAC Name 3-pyridylmethanethiol
Molecular Mass 125.191 g·mol−1
Heat of Formation 122.4 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 154.61 Å 3
Surface Area 157.9 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(mercaptomethyl)pyridine
  • 3-(mercaptomethylene)pyridine
  • 3-pyridinemethanethiol
  • 3-pyridylmethyl mercaptan
  • 5-mercaptomethyl-pyridin
  • 5-mercaptomethylpyridine
  • py2
  • pyridin-3-ylmethanethiol
  • pyridine, 3-mercaptomethyl-
CAS Number(s)
  • 17617-05-9
InChIKey MBXKCLHOVPXMCJ-UHFFFAOYSA-N
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Elements H C S N