2,2'-(E)-Ethene-1,2-Diylbis(5-Isothiocyanatobenzenesulfonic Acid)

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Properties Simple | Detailed

Formula C16H10N2O6S4
IUPAC Name 4-isothiocyanato-1-[(e)-2-(4-isothiocyanato-2-sulfo-phenyl)vinyl]-2-sulfo-benzene
Molecular Mass 454.520 g·mol−1
Heat of Formation -494.1 ± 16.7 kJ·mol−1
Dipole Moment 0.44 ± 1.08 D
Volume 467.64 Å 3
Surface Area 407.94 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2'-ethene-1,2-diylbis(5-isothiocyanatobenzenesulfonic acid)
  • 4,4'-diisothiocyanato-2,2'-stilbenedisulfonic acid
  • 4,4'-diisothiocyanatostilbene-2,2'-disulfonic acid
  • 4,4'-diisothiocyano-trans-stilbene-2,2'-disulfonic acid
  • 4,4'-diisothiocyanostilbene-2,2'-disulfonic acid
  • 5,5'-diisothiocyanato-2,2'-(ethene-1,2-diyl)dibenzenesulfonic acid
  • 5,5'-diisothiocyanato-2,2'-[(1e)-ethene-1,2-diyl]dibenzenesulfonic acid
  • 5-isothiocyanato-2-[(e)-2-(4-isothiocyanato-2-sulfo-phenyl)ethenyl]benzenesulfonic acid
  • 5-isothiocyanato-2-[(e)-2-(4-isothiocyanato-2-sulfo-phenyl)vinyl]benzenesulfonic acid
  • 5-isothiocyanato-2-[(e)-2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid
  • 5-isothiocyanato-2-[(e)-2-(4-isothiocyanato-2-sulfophenyl)vinyl]benzenesulfonic acid
  • 5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfo-phenyl)ethenyl]benzenesulfonic acid
  • 5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfo-phenyl)vinyl]benzenesulfonic acid
  • 5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfophenyl)vinyl]benzenesulfonic acid
  • benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-isothiocyanato-
  • benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-isothiocyanato-
  • dids
  • diisothiocyanatostilbene-2,2-disulfonic acid
CAS Number(s)
  • 53005-05-3
InChIKey YSCNMFDFYJUPEF-OWOJBTEDSA-N
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