Totabin

Molecule SVG Image

Properties Simple | Detailed

Formula C14H20N4O7S2
IUPAC Name 2-[(z)-[(methoxycarbonylamino)-(2-nitro-5-propylsulfanyl-anilino)methylene]amino]ethanesulfonic acid
Molecular Mass 420.461 g·mol−1
Heat of Formation -799.3 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 458.63 Å 3
Surface Area 401.85 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-methoxycarbonyl-2-(2-nitro-5-propylthiophenyl)guanidino)ethansulfonsaeure
  • 2-[[(carbomethoxyamino)-[[2-nitro-5-(propylthio)phenyl]amino]methylene]amino]ethanesulfonic acid
  • 2-[[(methoxycarbonylamino)-[(2-nitro-5-propylsulfanyl-phenyl)amino]methylene]amino]ethanesulfonic acid
  • 2-[[(methoxycarbonylamino)-[(2-nitro-5-propylsulfanyl-phenyl)amino]methylidene]amino]ethanesulfonic acid
  • 2-[[(methoxycarbonylamino)-[(2-nitro-5-propylsulfanylphenyl)amino]methylidene]amino]ethanesulfonic acid
  • 2-[[(methoxycarbonylamino)-[[2-nitro-5-(propylthio)phenyl]amino]methylene]amino]ethanesulfonic acid
  • d05149
  • ethanesulfonic acid, 2-((((methoxycarbonyl)amino)((2-nitro-5-(propylthio)phenyl)imino)methyl)amino)-
  • hapasil
  • methyl (n'-(2-nitro-5-(propylthio)phenyl)-n-(2-sulfoethyl)amidino)carbamate
  • mixcom1_000186
  • netobimin
  • netobimin (usan)
  • netobimina [spanish]
  • netobiminum [latin]
  • sch 32481
  • sr-01000631189-1
  • xbx 00004
CAS Number(s)
  • 88255-01-0
InChIKey WCBVUETZRWGIJQ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N