Purine, 2-Amino-6-[5-Bromo-6-Chloro-2-(Methylthio)-4-Pyrimidinylthio]-

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Properties Simple | Detailed

Formula C10H7BrClN7S2
IUPAC Name 6-(5-bromo-6-chloro-2-methylsulfanyl-pyrimidin-4-yl)sulfanylpurin-7-ium-2-amine
Molecular Mass 404.696 g·mol−1
Heat of Formation 486.2 ± 16.7 kJ·mol−1
Dipole Moment 4.59 ± 1.08 D
Volume 362.15 Å 3
Surface Area 315.49 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purin-2-amine, 6-((5-bromo-6-chloro-2-(methylthio)-4-pyrimidinyl)thio)-
  • 1h-purin-2-amine, 6-[[5-bromo-6-chloro-2-(methylthio)-4-pyrimidinyl]thio]-
  • 6-(5-bromo-6-chloro-2-methylsulfanyl-pyrimidin-4-yl)sulfanyl-7h-purin-2-amine
  • 6-[[5-bromo-6-chloro-2-(methylthio)-4-pyrimidinyl]thio]-7h-purin-2-amine
  • [6-[[5-bromo-6-chloro-2-(methylthio)pyrimidin-4-yl]thio]-7h-purin-2-yl]amine
  • kc 515
  • purine, 2-amino-6-[[5-bromo-6-chloro-2-(methylthio)-4-pyrimidinyl]thio]-
CAS Number(s)
  • 90766-92-0
InChIKey HCIPRXPENNHLHS-UHFFFAOYSA-N
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Elements C Cl H N S Br