Purine, 6- (Ethylthio)-

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Properties Simple | Detailed

Formula C7H8N4S
IUPAC Name 6-ethylsulfanylpurin-7-ium
Molecular Mass 180.230 g·mol−1
Heat of Formation 278.0 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 203.1 Å 3
Surface Area 200.52 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry Cs
Synonyms
  • 6-(ethylmercapto)purine
  • 6-(ethylthio)-7h-purine
  • 6-(ethylthio)purine
  • 6-ethyl mp
  • 6-ethyl-mp
  • 6-ethylmercaptopurine
  • 6-ethylsulfanyl-7h-purine
  • 6-ethylthiopurine
  • purine, 6-(ethylthio)-
  • qa 69
CAS Number(s)
  • 5417-84-5
InChIKey XTJLAIOQORFEOI-UHFFFAOYSA-N
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