Purine, 6-(Heptylthio)-

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Properties Simple | Detailed

Formula C12H18N4S
IUPAC Name 6-heptylsulfanylpurin-9-ium-5-ylium
Molecular Mass 250.363 g·mol−1
Heat of Formation 153.6 ± 16.7 kJ·mol−1
Dipole Moment 1.80 ± 1.08 D
Volume 308.63 Å 3
Surface Area 299.61 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine, 6-(heptylthio)-
  • 6-(heptylthio)-1h-purine
  • 6-(heptylthio)-7h-purine
  • 6-heptylsulfanyl-7h-purine
  • 6-n-heptylmercaptopurine
CAS Number(s)
  • 83277-80-9
InChIKey AJMDBPAFRPBUDE-UHFFFAOYSA-N
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