Structure Database (LMSD)

Common Name
DIDS
Systematic Name
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid
Synonyms
LM ID
LMPK13090003
Status
Active
Exact Mass
Calculate m/z
453.942176
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
YSCNMFDFYJUPEF-OWOJBTEDSA-N
InChi (Click to copy)
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)/b2-1+
SMILES (Click to copy)
C1(N=C=S)=CC=C(/C=C/C2=C(S(O)(=O)=O)C=C(N=C=S)C=C2)C(S(O)(=O)=O)=C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Membrane proteins related to anion permeability of human red blood cells. I. Localization of disulfonic stilbene binding sites in proteins involved in permeation.,
J Membr Biol, 1974
Pubmed ID: 4838037

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 2
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 358.58
Topological Polar Surface Area 133.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 7.04
Molar Refractivity 107.10

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Created at
-
Updated at
5th Feb 2022