≥80% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(=O)NC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)N=C=S)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
|---|---|
| IUPAC Name | disodium;5-acetamido-2-[(E)-2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]benzenesulfonate |
| InChIKey | NPAWAMRXPHRVQY-WTVBWJGASA-L |
| INCHI | 1S/C17H14N2O7S3.2Na/c1-11(20)19-15-7-5-13(17(9-15)29(24,25)26)3-2-12-4-6-14(18-10-27)8-16(12)28(21,22)23;;/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b3-2+;; |
| Isomeric SMILES | CC(=O)NC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)N=C=S)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| WGK Germany | 3 |
| PubChem CID | 5702774 |
| Molecular Weight | 498.461 |
| Beilstein | 9177451 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Stilbenes |
| Subclass | Sulfonated stilbenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfonated stilbenes |
| Alternative Parents | Benzenesulfonic acids and derivatives Acetanilides N-acetylarylamines 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Acetamides Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Sulfonated stilbene - Benzenesulfonate - Acetanilide - N-acetylarylamine - Anilide - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - N-arylamide - Benzenoid - Monocyclic benzene moiety - Acetamide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Isothiocyanate - Carboxamide group - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as sulfonated stilbenes. These are stilbenes that carry a sulfone group at one or more positions of either benzene rings. |
| External Descriptors | Not available |
| Molecular Weight | 498.500 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 497.96 Da |
| Monoisotopic Mass | 497.96 Da |
| Topological Polar Surface Area | 205.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 856.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 3 |
