≥90% 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 | C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C(=O)NC4=CC=CC=C4C(F)(F)F)N |
|---|---|
| IUPAC Name | 6-amino-N-[2-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide |
| InChIKey | WXWRROBOEYTBLJ-UHFFFAOYSA-N |
| INCHI | 1S/C21H20F3N3OS/c22-21(23,24)14-8-5-6-10-16(14)26-19(28)18-17(25)13-11-12-7-3-1-2-4-9-15(12)27-20(13)29-18/h5-6,8,10-11H,1-4,7,9,25H2,(H,26,28) |
| Isómeros SMILES | C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C(=O)NC4=CC=CC=C4C(F)(F)F)N |
| PubChem CID | 1773918 |
| Peso molecular | 419.47 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | Trifluoromethylbenzenes Thienopyridines Thiophene carboxamides 2-heteroaryl carboxamides Pyridines and derivatives Aminothiophenes Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organofluorides Primary amines Organooxygen compounds Organopnictogen compounds Alkyl fluorides Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aromatic anilide - Trifluoromethylbenzene - Thienopyridine - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Aminothiophene - Pyridine - Thiophene - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Amine - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Alkyl fluoride - Alkyl halide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. |
| External Descriptors | Not available |
| Peso molecular | 419.500 g/mol |
|---|---|
| XLogP3 | 6.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 419.128 Da |
| Monoisotopic Mass | 419.128 Da |
| Topological Polar Surface Area | 96.300 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 590.000 |
| 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 |
![3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide - ≥90% , CAS No.445384-39-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)