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

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Properties Simple | Detailed

Formula C9H14N6S
IUPAC Name 1-cyano-2-[2-[(5-methylimidazol-1-ium-5-ylium-4-yl)methylsulfanyl]ethyl]guanidine
Molecular Mass 238.313 g·mol−1
Heat of Formation 318.8 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 295.53 Å 3
Surface Area 267.3 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 2.95 ± eV
Point Group Symmetry C1
Synonyms
  • 1-cyano-2-[2-[(5-methyl-1h-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
  • 1-cyano-2-[2-[(5-methyl-1h-imidazol-4-yl)methylthio]ethyl]guanidine
  • guanidine, n-cyano-n'-(2-(((5-methyl-1h-imidazol-4-yl)methyl)thio)ethyl)-
  • n-desmethylcimetidine
CAS Number(s)
  • 52378-43-5
InChIKey RKGNDHKEOIXFST-UHFFFAOYSA-N
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