9-Butyl-9H-Purine-6-Thiol

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Properties Simple | Detailed

Formula C9H12N4S
IUPAC Name 9-butyl-3h-purine-6-thione
Molecular Mass 208.283 g·mol−1
Heat of Formation 299.2 ± 16.7 kJ·mol−1
Dipole Moment 11.67 ± 1.08 D
Volume 252.4 Å 3
Surface Area 240.49 Å 2
HOMO Energy -8.00 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • 6h-purine-6-thione, 9-butyl-1,9-dihydro-
  • 6h-purine-6-thione, 9-butyl-1,9-dihydro- (9ci)
  • 9-(n-butyl)-6-mercaptopurine
  • 9-butyl mercaptopurine
  • 9-butyl-1,9-dihydro-6h-purine-6-thione
  • 9-butyl-3h-purine-6-thione
  • 9-butyl-6-mercaptopurine
  • 9-butyl-6-mp
  • 9-butyl-6mp
  • 9h-purine-6-thiol, 9-butyl-
  • bump
  • sri 753
CAS Number(s)
  • 6165-01-1
InChIKey HRAKJMXGVYBTRV-UHFFFAOYSA-N
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