≥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.
| Canonical Smiles | CCCCNC(=O)NC1=NC(=NN1)SCC(=O)OCC |
|---|---|
| IUPAC Name | ethyl 2-[[5-(butylcarbamoylamino)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate |
| InChIKey | WJDKFTDIERZNPJ-UHFFFAOYSA-N |
| INCHI | 1S/C11H19N5O3S/c1-3-5-6-12-10(18)13-9-14-11(16-15-9)20-7-8(17)19-4-2/h3-7H2,1-2H3,(H3,12,13,14,15,16,18) |
| Isomeric SMILES | CCCCNC(=O)NC1=NC(=NN1)SCC(=O)OCC |
| PubChem CID | 3465675 |
| Molecular Weight | 301.37 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Alkylarylthioethers Triazoles Heteroaromatic compounds Ureas Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Alkylarylthioether - Azole - 1,2,4-triazole - Heteroaromatic compound - Carboxylic acid ester - Urea - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 301.370 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 301.121 Da |
| Monoisotopic Mass | 301.121 Da |
| Topological Polar Surface Area | 134.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 318.000 |
| 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 |
![ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate - ≥90% , CAS No.866010-97-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)