≥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.
| Canonical Smiles | C=CCN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)Cl.[Na+] |
|---|---|
| IUPAC Name | sodium;2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate |
| InChIKey | YPJIBEHUMLGUEZ-UHFFFAOYSA-M |
| INCHI | 1S/C13H12ClN3O2S.Na/c1-2-7-17-12(9-3-5-10(14)6-4-9)15-16-13(17)20-8-11(18)19;/h2-6H,1,7-8H2,(H,18,19);/q;+1/p-1 |
| Molecular Weight | 331.750 |
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 | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,4-triazoles |
| Alternative Parents | Alkylarylthioethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Carboxylic acids Organic metal halides Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic sodium salts Carbonyl compounds Organic zwitterions Organochlorides Organonitrogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,2,4-triazole - Aryl thioether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Organic alkali metal salt - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organic zwitterion - Organic sodium salt - Organic salt - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 331.750 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 331.016 Da |
| Monoisotopic Mass | 331.016 Da |
| Topological Polar Surface Area | 96.100 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 356.000 |
| 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 | 2 |
![sodium 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate - ≥95% , CAS No.1011426-49-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)