for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | CC1=CC(=C(C=C1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)Br |
|---|---|
| IUPAC Name | N-(2-bromo-4-methylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide |
| InChIKey | VNNDEKSECSITJG-UHFFFAOYSA-N |
| INCHI | 1S/C18H14BrF3N2O2S/c1-9-2-4-12(11(19)6-9)23-16(25)8-15-17(26)24-13-7-10(18(20,21)22)3-5-14(13)27-15/h2-7,15H,8H2,1H3,(H,23,25)(H,24,26) |
| Peso molecular | 459.300 |
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 | Anilides N-arylamides Toluenes Alkylarylthioethers Bromobenzenes 1,4-thiazines Aryl bromides Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Alkyl fluorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzothiazine - Anilide - Aryl thioether - N-arylamide - Bromobenzene - Halobenzene - Toluene - Alkylarylthioether - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Para-thiazine - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Thioether - Carboxylic acid derivative - Organic oxide - Organohalogen compound - Alkyl fluoride - Organobromide - Organofluoride - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Alkyl halide - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - 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 | 459.300 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 457.991 Da |
| Monoisotopic Mass | 457.991 Da |
| Topological Polar Surface Area | 83.500 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 577.000 |
| 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 |
![N-(2-bromo-4-methylphenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide , CAS No.308300-11-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)