≥98% 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.
Product Introduction
This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets have been developed and issued under the Authority of the issuing Pharmacopoeia. For further information and support please go to the website of the issuing Pharmacopoeia.
| Pubchem Sid | 504754799 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754799 |
| Canonical Smiles | C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C(F)(F)F |
| IUPAC Name | 2-(trifluoromethyl)thioxanthen-9-one |
| InChIKey | NEWRXGDGZGIHIS-UHFFFAOYSA-N |
| INCHI | 1S/C14H7F3OS/c15-14(16,17)8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)19-12/h1-7H |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C(F)(F)F |
| WGK Germany | 3 |
| PubChem CID | 74324 |
| Molecular Weight | 280.26 |
| Beilstein | 17(5)10,465 |
| Reaxy-Rn | 1583738 |
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 | Organoheterocyclic compounds |
| Class | Thiochromenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiochromenes |
| Alternative Parents | 1-benzothiopyrans Benzenoids Heteroaromatic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thiochromene - 1-benzothiopyran - Benzothiopyran - Benzenoid - Heteroaromatic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiochromenes. These are organosulfur compounds that are analogues to chromene, with the difference that a sulfur atom replaces the oxygen atom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H1821061 | Certificate of Analysis | Mar 20, 2026 | T102694 |
| H1821060 | Certificate of Analysis | Mar 20, 2026 | T102694 |
| E2211179 | Certificate of Analysis | Feb 04, 2026 | T102694 |
| E2211184 | Certificate of Analysis | Feb 04, 2026 | T102694 |
| E2211185 | Certificate of Analysis | Feb 04, 2026 | T102694 |
| Solubility | Soluble in Toluene |
|---|---|
| Sensitivity | Light Sensitive |
| Melt Point(°C) | 147-151°C |
| Molecular Weight | 280.270 g/mol |
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 280.017 Da |
| Monoisotopic Mass | 280.017 Da |
| Topological Polar Surface Area | 42.400 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 368.000 |
| 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 |
