≥90% 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 | CN1C(=NN=C1SCC(=O)OC)CNS(=O)(=O)C2=CC=C(C=C2)Cl |
|---|---|
| IUPAC Name | methyl 2-[[5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate |
| InChIKey | AYOJGYGEFWWKAU-UHFFFAOYSA-N |
| INCHI | 1S/C13H15ClN4O4S2/c1-18-11(16-17-13(18)23-8-12(19)22-2)7-15-24(20,21)10-5-3-9(14)4-6-10/h3-6,15H,7-8H2,1-2H3 |
| Isómeros SMILES | CN1C(=NN=C1SCC(=O)OC)CNS(=O)(=O)C2=CC=C(C=C2)Cl |
| PubChem CID | 1476080 |
| Peso molecular | 390.87 |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Benzenesulfonyl compounds Alkylarylthioethers Chlorobenzenes Aryl chlorides Organosulfonamides Triazoles Aminosulfonyl compounds Heteroaromatic compounds Methyl esters Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - Aryl thioether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Organosulfonic acid amide - Heteroaromatic compound - Azole - Methyl ester - Aminosulfonyl compound - 1,2,4-triazole - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 390.900 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 390.022 Da |
| Monoisotopic Mass | 390.022 Da |
| Topological Polar Surface Area | 137.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 523.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![methyl 2-{[5-({[(4-chlorophenyl)sulfonyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate - ≥90% , CAS No.338421-53-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)