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DIDS, Disodium Salt

CAT: 0024-sc-203919BSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-203919BSize:100 mg
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CAS Number
67483-13-0

Chemical Information

Disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate, (E)-

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CAS Number67483-13-0
PubChem CID5702690
IUPAC Namedisodium;5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]benzenesulfonate
Molecular FormulaC16H8N2Na2O6S4
Molecular Weight498.5
Topological Polar Surface Area220
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity792
SMILES
C1=CC(=C(C=C1N=C=S)S(=O)(=O)[O-])/C=C/C2=C(C=C(C=C2)N=C=S)S(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C16H10N2O6S4.2Na/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);;/q;2*+1/p-2/b2-1+;;
InChIKey
GEPAYBXVXXBSKP-SEPHDYHBSA-L
Chemical Structure
2D Structure
2D structure of Disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate, (E)-
CAS: 67483-13-0
CID: 5702690
Formula: C16H8N2Na2O6S4
MW: 498.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass497.90605924
Monoisotopic Mass497.90605924
Topological Polar Surface Area220 Ų
Heavy Atom Count30
Formal Charge0
Complexity792
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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CatalogName
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