≥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 | CCOC(=O)NC(=O)CSC1=NC(=CC(=C1C#N)C(F)(F)F)C |
|---|---|
| IUPAC Name | ethyl N-[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]carbamate |
| InChIKey | ANHPPXHRLJXKPP-UHFFFAOYSA-N |
| INCHI | 1S/C13H12F3N3O3S/c1-3-22-12(21)19-10(20)6-23-11-8(5-17)9(13(14,15)16)4-7(2)18-11/h4H,3,6H2,1-2H3,(H,19,20,21) |
| Isómeros SMILES | CCOC(=O)NC(=O)CSC1=NC(=CC(=C1C#N)C(F)(F)F)C |
| PubChem CID | 647914 |
| Peso molecular | 347.31 |
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 | Organosulfur compounds |
| Clase | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | 3-pyridinecarbonitriles Alkylarylthioethers Methylpyridines Carbamate esters Heteroaromatic compounds Dicarboximides Organic carbonic acids and derivatives Sulfenyl compounds Azacyclic compounds Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - 3-pyridinecarbonitrile - Methylpyridine - Alkylarylthioether - Pyridine - Dicarboximide - Carbamic acid ester - Heteroaromatic compound - Carbonic acid derivative - Carboxylic acid derivative - Carbonitrile - Nitrile - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Organopnictogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Peso molecular | 347.310 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 347.055 Da |
| Monoisotopic Mass | 347.055 Da |
| Topological Polar Surface Area | 117.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 492.000 |
| 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 |
![[2-(3-Cyano-6-methyl-4-trifluoromethyl-pyridin-2-ylsulfanyl)-acetyl]-carbamic acid ethyl ester - ≥90% , CAS No.625376-47-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)