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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.
| Canonical Smiles | C1=CC(=CC(=C1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)C(F)(F)F |
|---|---|
| IUPAC Name | 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| InChIKey | ZUVNDOKYYWKKOC-UHFFFAOYSA-N |
| INCHI | 1S/C18H12F6N2O2S/c19-17(20,21)9-2-1-3-11(6-9)25-15(27)8-14-16(28)26-12-7-10(18(22,23)24)4-5-13(12)29-14/h1-7,14H,8H2,(H,25,27)(H,26,28) |
| Molecular Weight | 434.400 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazines |
| Alternative Parents | Trifluoromethylbenzenes Anilides N-arylamides Alkylarylthioethers 1,4-thiazines Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzothiazine - Trifluoromethylbenzene - Anilide - Aryl thioether - N-arylamide - Alkylarylthioether - Para-thiazine - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Thioether - Carboxylic acid derivative - Azacycle - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 434.400 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 434.052 Da |
| Monoisotopic Mass | 434.052 Da |
| Topological Polar Surface Area | 83.500 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 626.000 |
| 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-[3-(trifluoromethyl)phenyl]acetamide - CAS No(300812-56-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/O/9/O948361.jpg)