1-Cyano-3-{2-[({5-[(Dimethylamino)Methyl]-2-Furyl}Methyl)Sulfanyl]Ethyl}-2-Methylguanidine

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Properties Simple | Detailed

Formula C13H21N5OS
IUPAC Name 1-cyano-3-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]-2-methyl-guanidine
Molecular Mass 295.404 g·mol−1
Heat of Formation 134.5 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 374.22 Å 3
Surface Area 303.52 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 2.95 ± eV
Point Group Symmetry C1
Synonyms
  • 3-cyano-1-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-2-methyl-guanidine
  • 3-cyano-1-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]-2-methyl-guanidine
  • 3-cyano-1-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]-2-methylguanidine
  • 3-cyano-1-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-methyl-guanidine
  • ah 18801
  • guanidine, n-cyano-n'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-n''-methyl-
  • n-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-n'-methyl-n''-cyanoguanidine
CAS Number(s)
  • 66357-17-3
InChIKey PRNVIKLDENQXRZ-UHFFFAOYSA-N
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