2-Amino-9-Butyl-3,9-Dihydro-6H-Purine-6-Thione

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Properties Simple | Detailed

Formula C9H13N5S
IUPAC Name 2-amino-9-butyl-3,8-dihydropurine-1,2,4,5,7,8-hexaide-6-thione
Molecular Mass 223.298 g·mol−1
Heat of Formation 294.8 ± 16.7 kJ·mol−1
Dipole Moment 11.85 ± 1.08 D
Volume 267.9 Å 3
Surface Area 255.28 Å 2
HOMO Energy -7.90 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-butyl-3h-purine-6-thione
  • 6h-purine-6-thione, 2-amino-9-butyl-1,9-dihydro-
  • 9-(n-butyl)-6-thioguanine
  • 9-btg
  • 9-butyl-6-thioguanine
  • 9h-purine-6(1h)-thione, 2-amino-9-butyl-
  • 9h-purine-6-thiol, 2-amino-9-butyl-
  • pc 246
  • sk 25531
CAS Number(s)
  • 24397-95-3
  • 30546-08-8
InChIKey RNDPRLLVMLFXLY-UHFFFAOYSA-N
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