Pyrithioxin

Molecule SVG Image

Properties Simple | Detailed

Formula C16H20N2O4S2
IUPAC Name 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methyl-pyridin-3-ol
Molecular Mass 368.471 g·mol−1
Heat of Formation -598.3 ± 16.7 kJ·mol−1
Dipole Moment 6.72 ± 1.08 D
Volume 415.66 Å 3
Surface Area 353.3 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 3,3'-(dithiobis(methylene))bis(5-hydroxy-6-methyl-4-pyridinemethanol)
  • 3,3'-(dithiodimethylene)bis(5-hydroxy-6-methyl-4-pyridinemethanol)
  • 4-pyridinemethanol, 3,3'-(dithiobis(methylene))bis(5-hydroxy-6-methyl-
  • 4-pyridinemethanol, 3,3'-(dithiodimethylene)bis(5-hydroxy-6-methyl-
  • 4-pyridinemethanol, 3,3'-[dithiobis(methylene)]bis[5-hydroxy-6-methyl-
  • 5-[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyldisulfanylmethyl]-2-methyl-4-methylol-pyridin-3-ol
  • 5-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyldisulfanylmethyl]-4-(hydroxymethyl)-2-methyl-3-pyridinol
  • 5-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyldisulfanylmethyl]-4-(hydroxymethyl)-2-methyl-pyridin-3-ol
  • 5-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-pyridin-3-yl]methyldisulfanylmethyl]-4-(hydroxymethyl)-2-methyl-pyridin-3-ol
  • 5-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyldisulfanylmethyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
  • bb_nc-0072
  • biocefalin
  • bis(4-hydroxymethyl-5-hydroxy-6-methyl-3-pyridylmethyl)disulfide
  • bonol
  • d02160
  • dipyridoxolyldisulfide
  • encefabol
  • epocan
  • piritinol
  • piritinolo [dcit]
  • pryritinol
  • pyridoxine disulfide
  • pyridoxine-5-disulfide
  • pyrithioxine (jan)
  • pyritinol
  • pyritinol [ban:dcf:inn]
  • pyritioxine
  • vitamin b6 disulfide
CAS Number(s)
  • 1098-97-1
InChIKey SIXLXDIJGIWWFU-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N