[6-(Propylsulfanyl)-9H-Purin-9-Yl]Methyl Methylcarbamate

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Properties Simple | Detailed

Formula C11H15N5O2S
IUPAC Name (6-propylsulfanylpurin-9-ium-9-yl)methyl n-methylcarbamate
Molecular Mass 281.334 g·mol−1
Heat of Formation -111.0 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 323.33 Å 3
Surface Area 308.96 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (6-propylsulfanylpurin-9-yl)methyl n-methylcarbamate
  • n-methylcarbamic acid [6-(propylthio)-9-purinyl]methyl ester
  • n-methylcarbamic acid [6-(propylthio)purin-9-yl]methyl ester
CAS Number(s)
  • 52185-94-1
InChIKey QSDOMOCSKWJNAW-UHFFFAOYSA-N
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