≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Kanonisches Lächeln | CC1=NC(=NN1)SCC(=O)O.C1COCCN1 |
|---|---|
| IUPAC Name | 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid;morpholine |
| InChIKey | MSYQJZMDTZWNQZ-UHFFFAOYSA-N |
| INCHI | 1S/C5H7N3O2S.C4H9NO/c1-3-6-5(8-7-3)11-2-4(9)10;1-3-6-4-2-5-1/h2H2,1H3,(H,9,10)(H,6,7,8);5H,1-4H2 |
| Isomere SMILES | CC1=NC(=NN1)SCC(=O)O.C1COCCN1 |
| PubChem CID | 15411619 |
| Molekulargewicht | 260.32 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Klasse | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Alkylarylthioethers Morpholines Triazoles Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Aryl thioether - Alkylarylthioether - Morpholine - Oxazinane - Azole - 1,2,4-triazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Secondary amine - Sulfenyl compound - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Beschreibung | 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 |
| Molekulargewicht | 260.320 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 260.094 Da |
| Monoisotopic Mass | 260.094 Da |
| Topological Polar Surface Area | 125.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 189.000 |
| 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 |
