Pyrithione

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Properties Simple | Detailed

Formula C5H5NOS+
IUPAC Name 1-hydroxypyridine-2-thione
Molecular Mass 127.164 g·mol−1
Heat of Formation 139.2 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 141.52 Å 3
Surface Area 148.33 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-hydroxy-2(1h)-pyridinethione
  • 1-hydroxy-2-(1h)-pyridinethione
  • 1-hydroxy-2-pyridinethione
  • 1-hydroxyl-1h-pyridine-2-thione
  • 1-hydroxypyridine-2(1h)-thione
  • 1-oxido-2-pyridinyl hydrosulfide
  • 1121-30-8 (thione tautomer)
  • 2(1h)-pyridinethione, 1-hydroxy-
  • 2-(1h)-pyridinethione, 1-hydroxy-
  • 2-mercaptopyridine monoxide
  • 2-mercaptopyridine n-oxide
  • 2-mercaptopyridine-n-oxide
  • 2-pyridinethiol 1-oxide
  • 2-pyridinethiol, 1-oxide
  • 2-pyridinethiol-1-oxide
  • 2-thiopyridine-n-oxide-
  • n-hydroxypyridine-2-thione
  • omadine
  • pyridine-2-thiol 1-oxide
  • pyridine-2-thiol n-oxide
  • pyridine-2-thiol-1-oxide
  • sq 2113
  • t5429082
CAS Number(s)
  • 1121-31-9
InChIKey YBBJKCMMCRQZMA-UHFFFAOYSA-N
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