for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1C2(COC(O1)C3=CC(=CC=C3)C(F)(F)F)CSC4=CC=CC=C4C2=O |
|---|---|
| IUPAC Name | 2-[3-(trifluoromethyl)phenyl]spiro[1,3-dioxane-5,3'-2H-thiochromene]-4'-one |
| InChIKey | RKUTZMOUEHOTGF-UHFFFAOYSA-N |
| INCHI | 1S/C19H15F3O3S/c20-19(21,22)13-5-3-4-12(8-13)17-24-9-18(10-25-17)11-26-15-7-2-1-6-14(15)16(18)23/h1-8,17H,9-11H2 |
| Isómeros SMILES | C1C2(COC(O1)C3=CC(=CC=C3)C(F)(F)F)CSC4=CC=CC=C4C2=O |
| PubChem CID | 1486154 |
| Peso molecular | 380.38 |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Thiochromanes 1-benzothiopyrans Aryl alkyl ketones Alkylarylthioethers Vinylogous thioesters Thiopyrans 1,3-dioxanes Oxacyclic compounds Acetals Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Trifluoromethylbenzene - Thiochromane - 1-benzothiopyran - Benzothiopyran - Aryl thioether - Aryl alkyl ketone - Aryl ketone - Alkylarylthioether - Meta-dioxane - Vinylogous thioester - Thiopyran - Ketone - Acetal - Oxacycle - Organoheterocyclic compound - Thioether - Organic oxygen compound - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Peso molecular | 380.400 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 380.069 Da |
| Monoisotopic Mass | 380.069 Da |
| Topological Polar Surface Area | 60.800 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 531.000 |
| 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 |
