5,5'-[Sulfanediylbis(Methylene)]Bis[4-(Hydroxymethyl)-2-Methyl-3-Pyridinol]

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Properties Simple | Detailed

Formula C16H20N2O4S
IUPAC Name 5-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methylsulfanylmethyl]-4-(hydroxymethyl)-2-methyl-pyridin-3-ol
Molecular Mass 336.406 g·mol−1
Heat of Formation -576.7 ± 16.7 kJ·mol−1
Dipole Moment 0.12 ± 1.08 D
Volume 392.81 Å 3
Surface Area 344.83 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 3,3'-(thiodimethylene)bis(5-hydroxy-6-methyl-4-pyridinemethanol)
  • 4-pyridinemethanol, 3,3'-(thiodimethylene)bis(5-hydroxy-6-methyl-
  • 5-[[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methylthio]methyl]-2-methyl-4-methylol-pyridin-3-ol
  • 5-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-pyridin-3-yl]methylsulfanylmethyl]-4-(hydroxymethyl)-2-methyl-pyridin-3-ol
  • 5-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methylsulfanylmethyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
  • 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methylthio]methyl]-4-(hydroxymethyl)-2-methyl-3-pyridinol
  • 5-thiopyridoxine
  • oprea1_408176
CAS Number(s)
  • 1562-74-9
InChIKey RFTLJJQZOSWJGE-UHFFFAOYSA-N
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