2-(Methylsulfanyl)-4,5,6-Pyrimidinetriamine

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Properties Simple | Detailed

Formula C5H9N5S
IUPAC Name 2-methylsulfanylpyrimidine-4,5,6-triamine
Molecular Mass 171.223 g·mol−1
Heat of Formation 135.6 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 192.41 Å 3
Surface Area 193.8 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(methylthio)pyrimidine-4,5,6-triamine
  • [4,6-diamino-2-(methylthio)pyrimidin-5-yl]amine
CAS Number(s)
  • 1431-40-9
InChIKey CTHYWCCCVXWRCA-UHFFFAOYSA-N
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