6-[(1-Naphthylmethyl)Sulfanyl]-1H-Purine

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Properties Simple | Detailed

Formula C16H12N4S
IUPAC Name 6-(1-naphthylmethylsulfanyl)-7h-purine
Molecular Mass 292.358 g·mol−1
Heat of Formation 478.0 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 332.74 Å 3
Surface Area 302.56 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(1-naphthylmethylsulfanyl)-7h-purine
  • 6-(1-naphthylmethylthio)-7h-purine
  • 6-(naphthalen-1-ylmethylsulfanyl)-7h-purine
  • 6-(naphthalen-1-ylmethylsulfanyl)-9h-purine
  • 6-[(1-naphthylmethyl)sulfanyl]-9h-purine
  • bas 00546997
  • oprea1_058230
  • oprea1_684401
InChIKey BGMSTNYJYPSLHN-UHFFFAOYSA-N
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Elements H S C N