≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CCN)OC |
|---|---|
| IUPAC Name | [4-[(Z)-[3-(2-aminoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 2,5-dimethylbenzenesulfonate |
| InChIKey | XTFLFSBYKYFWNZ-PDGQHHTCSA-N |
| INCHI | 1S/C21H22N2O6S2/c1-13-4-5-14(2)19(10-13)31(26,27)29-16-7-6-15(11-17(16)28-3)12-18-20(24)23(9-8-22)21(25)30-18/h4-7,10-12H,8-9,22H2,1-3H3/b18-12- |
| Peso molecular | 462.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzenesulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonate esters |
| Alternative Parents | Arylsulfonic acids and derivatives Benzenesulfonyl compounds Anisoles p-Xylenes Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Thiazolidinediones Organosulfonic acid esters Dicarboximides Sulfonyls Organic carbonic acids and derivatives Thiocarbamic acid derivatives Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Anisole - P-xylene - Xylene - Phenol ether - Methoxybenzene - Alkyl aryl ether - Thiazolidinedione - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiazolidine - Dicarboximide - Amino acid or derivatives - Thiocarbamic acid derivative - Carbonic acid derivative - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Primary amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid. |
| External Descriptors | Not available |
| Peso molecular | 462.500 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 462.092 Da |
| Monoisotopic Mass | 462.092 Da |
| Topological Polar Surface Area | 150.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 809.000 |
| 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 | 1 |
![[4-[(Z)-[3-(2-aminoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 2,5-dimethylbenzenesulfonate - ≥95% , CAS No.900641-60-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)