7,8,10-Trimethyl-2-Sulfinyl-2,10-Dihydrobenzo[G]Pteridin-4(3H)-One

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Properties Simple | Detailed

Formula C13H13N4O2S++
IUPAC Name 7,8,10-trimethyl-2-sulfinyl-benzo[g]pteridin-10a-ylium-1-id-4-one
Molecular Mass 289.333 g·mol−1
Heat of Formation 47.7 ± 16.7 kJ·mol−1
Dipole Moment 10.39 ± 1.08 D
Volume 314.74 Å 3
Surface Area 288.48 Å 2
HOMO Energy -7.70 ± 0.55 eV
LUMO Energy -2.04 ± eV
Point Group Symmetry Cs
Synonyms
  • 7,8,10-trimethyl-2-sulfinyl-4-benzo[g]pteridinone
  • 7,8,10-trimethyl-2-sulfinyl-benzo[g]pteridin-4-one
  • benzo(g)pteridin-4(3h)-one, 2,10-dihydro-7,8,10-trimethyl-2-sulfinyl-
  • blue flavin
  • flavin 2-s-oxide
CAS Number(s)
  • 86189-63-1
InChIKey IXYGPUFAQIGWQJ-UHFFFAOYSA-N
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