1-Cyano-2-Methyl-3-(2-{[(1-Methyl-1H-Imidazol-2-Yl)Methyl]Sulfanyl}Ethyl)Guanidine

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Properties Simple | Detailed

Formula C10H16N6S
IUPAC Name 1-cyano-2-methyl-3-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]guanidine
Molecular Mass 252.339 g·mol−1
Heat of Formation 357.9 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 317.7 Å 3
Surface Area 292.62 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((2-n'-cyano-n''-methylguanidino)ethylmercaptomethyl)-1-methylimidazole
  • 3-cyano-2-methyl-1-[2-[(1-methyl-2-imidazolyl)methylthio]ethyl]guanidine
  • 3-cyano-2-methyl-1-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]guanidine
  • 3-cyano-2-methyl-1-[2-[(1-methylimidazol-2-yl)methylthio]ethyl]guanidine
  • guanidine, n-cyano-n'-methyl-n''-(2-(((1-methyl-1h-imidazol-2-yl)methyl)thio)ethyl)-
  • isocimetidine
  • n-cyano-n'-methyl-n''-(2-(((1-methyl-1h-imidazol-2-yl)methyl)thio)ethyl)guanidine
CAS Number(s)
  • 104057-02-5
InChIKey MSVRYDHETRIKBH-UHFFFAOYSA-N
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