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 40600
Molecular Formula

C16H10N2O6S4

SMILES

C1=CC(=C(C=C1N=C=S)S(=O)(=O)O)C=CC2=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)

synonyms
  • 53005-05-3
  • 4,4'-Diisothiocyanostilbene-2,2'-disulfonic acid
  • DTXSID701027549
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Properties
Property Value
MW 454.5 g/mol
HBD 2
HBA 10
Rotatable Bond Count 6
Exact Mass 453.94217074 g/mol
Monoisotopic Mass 453.94217074 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 818
xlogp 4.5
Topological Polar Surface Area 214