3-(Dodecylsulfanyl)-4-Hydroxy-1,2-Naphthalenedione

Molecule SVG Image

Properties Simple | Detailed

Formula C22H30O3S
IUPAC Name 3-dodecylsulfanyl-4-hydroxy-naphthalene-1,2-dione
Molecular Mass 374.537 g·mol−1
Heat of Formation -513.8 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 478.09 Å 3
Surface Area 443.61 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-naphthalenedione, 2-(dodecylthio)-3-hydroxy-
  • 2-(dodecylsulfanyl)-3-hydroxynaphthoquinone
  • 2-hydroxy-3-n-dodecylmercapto-1,4-naphthoquinone
  • 3-(dodecylthio)-4-hydroxynaphthalene-1,2-dione
  • 3-dodecylsulfanyl-4-hydroxynaphthalene-1,2-dione
  • 3-n-dodecylmercapto-2-hydroxy-1,4-naphthoquinoe
  • 4-hydroxy-3-(laurylthio)-1,2-naphthoquinone
CAS Number(s)
  • 39226-85-2
InChIKey ZUSSKXJQGKIKCW-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O