1-Cyano-3-(2-{[(5-Methyl-1H-Imidazol-4-Yl)Methyl]Sulfanyl}Ethyl)-2-(2-Propyn-1-Yl)Guanidine

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Properties Simple | Detailed

Formula C12H16N6S
IUPAC Name 1-cyano-3-[2-[(5-methylimidazol-1-ium-5-ylium-4-yl)methylsulfanyl]ethyl]-2-prop-2-ynyl-guanidine
Molecular Mass 276.361 g·mol−1
Heat of Formation 588.1 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 309.11 Å 3
Surface Area 286.09 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • 2-cyano-1-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)-3-(2-propynyl)guanidine
  • 3-cyano-1-[2-[(5-methyl-1h-imidazol-4-yl)methylsulfanyl]ethyl]-2-prop-2-ynyl-guanidine
  • 3-cyano-1-[2-[(5-methyl-1h-imidazol-4-yl)methylthio]ethyl]-2-prop-2-ynylguanidine
  • 3-cyano-1-[2-[(5-methyl-1h-imidazol-4-yl)methylthio]ethyl]-2-propargyl-guanidine
  • etintidine
  • guanidine, n''-cyano-n-(2-(((5-methyl-1h-imidazol-4-yl)methyl)thio)ethyl)-n'-2-propynyl-
  • guanidine, n-cyano-n'-(2-(((5-methyl-1h-imidazol-4-yl)methyl)thio)ethyl)-n''-2-propynyl-
InChIKey KEDVUOWPLAHMLZ-UHFFFAOYSA-N
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