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 | CCCOC1=CC=CC=C1NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F |
|---|---|
| IUPAC Name | 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-(2-propoxyphenyl)acetamide |
| InChIKey | JNWCWSVRBZMXSB-UHFFFAOYSA-N |
| INCHI | 1S/C20H19F3N2O3S/c1-2-9-28-15-6-4-3-5-13(15)24-18(26)11-17-19(27)25-14-10-12(20(21,22)23)7-8-16(14)29-17/h3-8,10,17H,2,9,11H2,1H3,(H,24,26)(H,25,27) |
| Peso molecular | 424.4 |
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 | Organoheterocyclic compounds |
| Clase | Benzothiazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazines |
| Alternative Parents | Anilides Phenoxy compounds Phenol ethers N-arylamides Alkyl aryl ethers Alkylarylthioethers 1,4-thiazines Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzothiazine - Anilide - Phenol ether - Phenoxy compound - Aryl thioether - N-arylamide - Alkyl aryl ether - Alkylarylthioether - Para-thiazine - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Lactam - Carboxamide group - Ether - Thioether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). |
| External Descriptors | Not available |
| Peso molecular | 424.400 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 424.107 Da |
| Monoisotopic Mass | 424.107 Da |
| Topological Polar Surface Area | 92.700 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 590.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| 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-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-propoxyphenyl)acetamide , CAS No.301228-96-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)