(Z)-N-Methyl-N'-{2-[({5-[(Methylamino)Methyl]-2-Furyl}Methyl)Sulfanyl]Ethyl}-2-Nitro-1,1-Ethenediamine

Molecule SVG Image

Properties Simple | Detailed

Formula C12H20N4O3S
IUPAC Name (z)-n1-methyl-n1'-[2-[[5-(methylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine
Molecular Mass 300.377 g·mol−1
Heat of Formation -54.6 ± 16.7 kJ·mol−1
Dipole Moment 6.89 ± 1.08 D
Volume 364.35 Å 3
Surface Area 337.48 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-n'-methyl-n-[2-[[5-(methylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine
  • (z)-n'-methyl-n-[2-[[5-(methylaminomethyl)-2-furyl]methylthio]ethyl]-2-nitroethene-1,1-diamine
  • (z)-n'-methyl-n-[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine
  • (z)-n'-methyl-n-[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine
  • 1,1-ethenediamine, n-methyl-n'-(2-(((5-((methylamino)methyl)-2-furanyl)methyl)thio)ethyl)-2-nitro-
  • 2-[[5-(methylaminomethyl)-2-furyl]methylthio]ethyl-[(z)-1-methylamino-2-nitro-vinyl]amine
  • 5-desmethylranitidine
CAS Number(s)
  • 66357-25-3
InChIKey WZLBVRXZNDXPPW-WQLSENKSSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N