2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 558
Total Number of Articles : 1099
PubChem 6871216
Molecular Formula

C18H16N4O6S4-2

SMILES

CCN\1C2=C(C=C(C=C2)S(=O)(=O)[O-])S/C1=N/N=C\3/N(C4=C(S3)C=C(C=C4)S(=O)(=O)[O-])CC

InChI

InChI=1S/C18H18N4O6S4/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28)/p-2/b19-17-,20-18+

synonyms
  • 2,2'-azino-bis-(3-ethylbenzothiazoline-6-sulfonate)
  • ABTS
  • 2,2'-Azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid
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Properties
Property Value
MW 512.6 g/mol
HBD 0
HBA 10
Rotatable Bond Count 3
Exact Mass 511.99526894 g/mol
Monoisotopic Mass 511.99526894 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 883
xlogp 2.3
Topological Polar Surface Area 213