≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | C1CC1C2=C(C(=O)NC(=N2)SCC3=C(C(=CC=C3)F)F)C#N |
|---|---|
| IUPAC Name | 4-cyclopropyl-2-[(2,3-difluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carbonitrile |
| InChIKey | PHHZYKZFEBRXAL-UHFFFAOYSA-N |
| INCHI | 1S/C15H11F2N3OS/c16-11-3-1-2-9(12(11)17)7-22-15-19-13(8-4-5-8)10(6-18)14(21)20-15/h1-3,8H,4-5,7H2,(H,19,20,21) |
| Isómeros SMILES | C1CC1C2=C(C(=O)NC(=N2)SCC3=C(C(=CC=C3)F)F)C#N |
| Peso molecular | 319.33 |
| Reaxy-Rn | 60245498 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=60245498&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Clase | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Pyrimidones Fluorobenzenes Alkylarylthioethers Hydropyrimidines Aryl fluorides Vinylogous amides Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Fluorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Organoheterocyclic compound - Azacycle - Nitrile - Carbonitrile - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
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| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 15.97, Max Conc. mM: 50 |
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