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)C1=C(SC(=C1C)C)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F |
|---|---|
| IUPAC Name | ethyl 4,5-dimethyl-2-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]thiophene-3-carboxylate |
| InChIKey | NTYUSFDHFJNKEC-UHFFFAOYSA-N |
| INCHI | 1S/C20H19F3N2O4S2/c1-4-29-19(28)16-9(2)10(3)30-18(16)25-15(26)8-14-17(27)24-12-7-11(20(21,22)23)5-6-13(12)31-14/h5-7,14H,4,8H2,1-3H3,(H,24,27)(H,25,26) |
| Peso molecular | 472.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Thiophene carboxylic acids and derivatives N-arylamides Alkylarylthioethers 1,4-thiazines Benzenoids Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Lactams Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Alkyl fluorides Carbonyl compounds Organofluorides Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzothiazine - Aryl thioether - Thiophene carboxylic acid or derivatives - N-arylamide - Alkylarylthioether - Para-thiazine - Benzenoid - Thiophene - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Thioether - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organonitrogen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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 | 472.500 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 472.074 Da |
| Monoisotopic Mass | 472.074 Da |
| Topological Polar Surface Area | 138.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 708.000 |
| 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 |
![ethyl 4,5-dimethyl-2-({[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}amino)thiophene-3-carboxylate , CAS No.303033-71-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)