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 5464076
Molecular Formula

C18H18N4O6S4

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)/b19-17-,20-18+

synonyms
  • 2,2'-Azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid
  • 28752-68-3
  • DTXSID10894755
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Properties
Property Value
MW 514.6 g/mol
HBD 2
HBA 10
Rotatable Bond Count 5
Exact Mass 514.01091900 g/mol
Monoisotopic Mass 514.01091900 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 910
xlogp 2.5
Topological Polar Surface Area 207