3-(2-Methoxyethyl)-2-Thioxo-1,2,3,7-Tetrahydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C8H10N4O2S
IUPAC Name 3-(2-methoxyethyl)-2-thioxo-7,8-dihydropurine-4,5,8,9-tetraid-6-one
Molecular Mass 226.256 g·mol−1
Heat of Formation -86.3 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 250.57 Å 3
Surface Area 231.59 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-methoxyethyl)-2-thioxo-7h-purin-6-one
InChIKey VXTADZREIUKIHH-UHFFFAOYSA-N
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