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

Molecule SVG Image

Properties Simple | Detailed

Formula C10H16N6OS
IUPAC Name 1-cyano-3-[2-[[5-(hydroxymethyl)imidazol-3-ium-4-ylium-4-yl]methylsulfanyl]ethyl]-2-methyl-guanidine
Molecular Mass 268.339 g·mol−1
Heat of Formation 181.7 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 325.58 Å 3
Surface Area 311.25 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • 3-cyano-1-[2-[[5-(hydroxymethyl)-3h-imidazol-4-yl]methylsulfanyl]ethyl]-2-methyl-guanidine
  • 3-cyano-1-[2-[[5-(hydroxymethyl)-3h-imidazol-4-yl]methylsulfanyl]ethyl]-2-methylguanidine
  • 3-cyano-1-[2-[[5-(hydroxymethyl)-3h-imidazol-4-yl]methylthio]ethyl]-2-methylguanidine
  • 3-cyano-2-methyl-1-[2-[(5-methylol-3h-imidazol-4-yl)methylthio]ethyl]guanidine
  • guanidine, n-cyano-n'-(2-(((5-(hydroxymethyl)-1h-imidazol-4-yl)methyl)thio)ethyl)-n''-methyl-
  • hydroxymethyl cimetidine
CAS Number(s)
  • 59359-50-1
InChIKey JSTWNRREBFKXNZ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N