2-Amino-7-{2-[(2-Hydroxyethyl)Sulfanyl]Ethyl}-3,7-Dihydro-6H-Purin-6-One

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Formula C9H13N5O2S
IUPAC Name 2-amino-7-[2-(2-hydroxyethylsulfanyl)ethyl]-3,8-dihydropurine-1,2,4,5,8,9-hexaid-6-one
Molecular Mass 255.297 g·mol−1
Heat of Formation -98.6 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 286.52 Å 3
Surface Area 272.18 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-1,7-dihydro-7-(2-((2-hydroxyethyl)thio)ethyl)-6h-purin-6-one
  • 2-amino-7-[2-(2-hydroxyethylsulfanyl)ethyl]-3h-purin-6-one
  • 2-amino-7-[2-(2-hydroxyethylthio)ethyl]-3h-purin-6-one
  • 6h-purin-6-one, 2-amino-1,7-dihydro-7-(2-((2-hydroxyethyl)thio)ethyl)-
  • n7-(2-((2-hydroxyethyl)thio)ethyl)guanine
  • n7-(2-((hydroxyethyl)thio)ethyl)guanine
  • n7-hete-gua
CAS Number(s)
  • 5966-31-4
InChIKey SQQNJJKNRHKMKW-UHFFFAOYSA-N
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