≥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 | C1CCC2=C(CC1)N=C3C(=C2C(F)(F)F)C4=C(S3)C(=CC(=O)N4)O |
|---|---|
| IUPAC Name | 16-hydroxy-10-(trifluoromethyl)-18-thia-2,13-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),15-pentaen-14-one |
| InChIKey | ZNURTZHVVDOQTA-UHFFFAOYSA-N |
| INCHI | 1S/C16H13F3N2O2S/c17-16(18,19)12-7-4-2-1-3-5-8(7)20-15-11(12)13-14(24-15)9(22)6-10(23)21-13/h6H,1-5H2,(H2,21,22,23) |
| Isómeros SMILES | C1CCC2=C(CC1)N=C3C(=C2C(F)(F)F)C4=C(S3)C(=CC(=O)N4)O |
| PubChem CID | 54676162 |
| Peso molecular | 354.35 |
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 | Organoheterocyclic compounds |
| Clase | Thienopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyridines |
| Alternative Parents | Hydroxypyridines Thiophenes Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyridine - Hydroxypyridine - Pyridine - Thiophene - Heteroaromatic compound - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
| Peso molecular | 354.300 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 0 |
| Exact Mass | 354.065 Da |
| Monoisotopic Mass | 354.065 Da |
| Topological Polar Surface Area | 90.500 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 568.000 |
| 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 |
![16-Hydroxy-10-(trifluoromethyl)-18-thia-2,13-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,12(17),15-pentaen-14-one - ≥90% CAS No(626221-82-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/H/1/H1014424.jpg)