2-Methyl-1-(2-{[(5-Methyl-1H-Imidazol-4-Yl)Methyl]Sulfanyl}Ethyl)Guanidine

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Properties Simple | Detailed

Formula C9H17N5S
IUPAC Name 2-methyl-1-[2-[(5-methylimidazol-1-ium-5-ylium-4-yl)methylsulfanyl]ethyl]guanidine
Molecular Mass 227.330 g·mol−1
Heat of Formation 150.8 ± 16.7 kJ·mol−1
Dipole Moment 6.27 ± 1.08 D
Volume 287.51 Å 3
Surface Area 273.62 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 3.19 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-1-[2-[(5-methyl-1h-imidazol-4-yl)methylthio]ethyl]guanidine
  • guanidine, n-methyl-n'-(2-(((5-methyl-1h-imidazol-4-yl)methyl)thio)ethyl)-
  • n-methyl-n'-(2-(((5-methyl-1h-imidazole-4-yl)methyl)thio)ethyl)guanidine
  • sk&f 92408
  • sk&f-92408
  • skf 92408
CAS Number(s)
  • 70172-53-1
InChIKey OFFPEAOWWDXZOY-UHFFFAOYSA-N
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