1,3-Dimethyl-8-(Sulfanylmethyl)-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C8H14N4O2S
IUPAC Name 1,3-dimethyl-8-(sulfanylmethyl)-7h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 230.287 g·mol−1
Heat of Formation -188.9 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 247.46 Å 3
Surface Area 236.92 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dimethyl-8-(sulfanylmethyl)-7h-purine-2,6-dione
  • 8-(mercaptomethyl)-1,3-dimethyl-7h-purine-2,6-dione
  • 8-(mercaptomethyl)-1,3-dimethyl-7h-purine-2,6-quinone
CAS Number(s)
  • 6466-38-2
InChIKey QGVAUWIXMHZBST-UHFFFAOYSA-N
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