≥97% 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.
| Sonrisas canónicas | C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)CC(=S)N |
|---|---|
| IUPAC Name | 2-[4-(trifluoromethyl)phenyl]sulfonylethanethioamide |
| InChIKey | QLZWOMZLTKOQLK-UHFFFAOYSA-N |
| INCHI | 1S/C9H8F3NO2S2/c10-9(11,12)6-1-3-7(4-2-6)17(14,15)5-8(13)16/h1-4H,5H2,(H2,13,16) |
| Isómeros SMILES | C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)CC(=S)N |
| CAS alternativo | 263147-79-1 |
| PubChem CID | 2744227 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Benzenesulfonyl compounds Thioamides Sulfones Thiocarboxylic acid amides Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Benzenesulfonyl group - Sulfone - Sulfonyl - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Hydrocarbon derivative - Thiocarbonyl group - Alkyl halide - Alkyl fluoride - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Peso molecular | 283.300 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 282.995 Da |
| Monoisotopic Mass | 282.995 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 378.000 |
| 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-[[4-(Trifluoromethyl)phenyl]sulphonyl]ethanethioamide - ≥97% , CAS No.263147-79-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)