6-[(3-Chloropropyl)Sulfanyl]-7H-Purine

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Properties Simple | Detailed

Formula C8H9ClN4S
IUPAC Name 6-(3-chloropropylsulfanyl)purin-7-ium
Molecular Mass 228.702 g·mol−1
Heat of Formation 224.5 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 249.19 Å 3
Surface Area 236.97 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 3-chloropropyl 9h-purin-6-yl sulfide
  • 6-(3-chloropropylsulfanyl)-7h-purine
  • 6-(3-chloropropylthio)-7h-purine
  • ag-205/12075179
InChIKey GQRSREIDTVAUEO-UHFFFAOYSA-N
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Elements H S N C Cl