1-[N'-Methyl-N-(2-{[(5-Methyl-1H-Imidazol-4-Yl)Methyl]Sulfanyl}Ethyl)Carbamimidoyl]Urea

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Formula C10H18N6OS
IUPAC Name [(z)-n'-methyl-n-[2-[(5-methylimidazol-1-ium-5-ylium-4-yl)methylsulfanyl]ethyl]carbamimidoyl]urea
Molecular Mass 270.355 g·mol−1
Heat of Formation -59.3 ± 16.7 kJ·mol−1
Dipole Moment 7.74 ± 1.08 D
Volume 328.2 Å 3
Surface Area 276.15 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy 3.51 ± eV
Point Group Symmetry C1
Synonyms
  • ((methylamino)((2-(((5-methyl-1h-imidazol-4-yl)methyl)thio)ethyl)amino)methylene)urea
  • [[2-[(5-methyl-1h-imidazol-4-yl)methylthio]ethylamino]-methyliminomethyl]urea
  • [n'-methyl-n-[2-[(5-methyl-1h-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]urea
  • [n'-methyl-n-[2-[(5-methyl-1h-imidazol-4-yl)methylthio]ethyl]carbamimidoyl]urea
  • guanylurea cimetidine
  • urea, ((methylamino)((2-(((5-methyl-1h-imidazol-4-yl)methyl)thio)ethyl)amino)methylene)-
CAS Number(s)
  • 77076-18-7
InChIKey GWWANUFLANSTTA-UHFFFAOYSA-N
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