Structure Database (LMSD)
Common Name
DIDS
Systematic Name
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid
Synonyms
3D model of DIDS
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
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
Other Databases
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
Admin
Created at
-
Updated at
5th Feb 2022