2,2'-(1,2-Ethanediyl)Bis(5-Isothiocyanatobenzenesulfonic Acid)

Molecule SVG Image

Properties Simple | Detailed

Formula C16H12N2O6S4
IUPAC Name 5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfo-phenyl)ethyl]benzenesulfonic acid
Molecular Mass 456.536 g·mol−1
Heat of Formation -599.9 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 454.11 Å 3
Surface Area 379.6 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 1.45 ± eV
Point Group Symmetry C1
Synonyms
  • 150321-88-3 (disodium salt)
  • 4,4'-diisothiocyanatodihydrostilbene-2,2'-disulfonic acid
  • 4,4'-diisothiocyano-1,2-diphenylethane-2,2'-disulfonate
  • 4,4'-diisothiocyano-2,2'-dihydrostilbene disulfonic acid
  • 5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfophenyl)ethyl]benzenesulfonic acid
  • benzenesulfonic acid, 2,2'-(1,2-ethanediyl)bis(5-isothiocyanato-
  • benzenesulfonic acid, 2,2'-(1,2-ethanediyl)bis[5-isothiocyanato-
  • dihydro-4,4'-diisothiocyanostilbene-2,2'-disulfonic acid
  • dihydro-dids
  • dihydrodids
  • h2dids
CAS Number(s)
  • 61481-03-6
InChIKey AXGKYURDYTXCAG-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N