4,4'-Diisothiocyanostilbene-2,2'-Disulfonic Acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 288
Total Number of Articles : 401
PubChem 6146472
Molecular Formula

C16H8N2O6S4-2

SMILES

C1=CC(=C(C=C1N=C=S)S(=O)(=O)[O-])/C=C/C2=C(C=C(C=C2)N=C=S)S(=O)(=O)[O-]

InChI

InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/p-2/b2-1+

synonyms
  • dids
  • 4,4'-diisothiocyanostilbene-2,2'-disulfonate
  • 5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]benzenesulfonate
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Properties
Property Value
MW 452.5 g/mol
HBD 0
HBA 10
Rotatable Bond Count 4
Exact Mass 451.92652067 g/mol
Monoisotopic Mass 451.92652067 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 792
xlogp 4.3
Topological Polar Surface Area 220