7-Methyl-6,8-Bis(Methylthio)Pyrrolo[1,2]Pyrazine

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Properties Simple | Detailed

Formula C10H13N2S2+
IUPAC Name 7-methyl-6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazin-5-ium-6-ylium
Molecular Mass 225.354 g·mol−1
Heat of Formation 194.5 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 267.17 Å 3
Surface Area 241.64 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 6-methyl-5,7-dimethylthiopyrrolo[1,2-a]1,4-diazine
  • 7-methyl-6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine
  • 7-methyl-6,8-bis(methylthio)pyrrolo(1,2-a)pyrazine
  • 7-methyl-6,8-bis(methylthio)pyrrolo[1,2-a]pyrazine
  • mbmtpp
  • metabolite iii
  • miii
  • pyrrolo(1,2-a)pyrazine, 7-methyl-6,8-bis(methylthio)-
CAS Number(s)
  • 84201-40-1
InChIKey MYLBTCQBKAKUTJ-UHFFFAOYSA-N
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