≥96% 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.
Sulindac Sulfone is a metabolite of Sulindac which inhibits cell growth and induces apoptosis in human cancer cell lines. It does not, however, inhibit cyclooxygenase (Cox).
| Canonical Smiles | CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O |
|---|---|
| IUPAC Name | 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid |
| InChIKey | MVGSNCBCUWPVDA-RQZCQDPDSA-N |
| INCHI | 1S/C20H17FO4S/c1-12-17(9-13-3-6-15(7-4-13)26(2,24)25)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+ |
| Isomeric SMILES | CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O |
| WGK Germany | 3 |
| PubChem CID | 6158261 |
| Molecular Weight | 372.4 |
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 |
| Class | Indenes and isoindenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indenes and isoindenes |
| Alternative Parents | Benzenesulfonyl compounds Aryl fluorides Sulfones Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Benzenesulfonyl group - Indene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Sulfonyl - Sulfone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indenes and isoindenes. These are compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene ring). |
| External Descriptors | Not available |
| Solubility | Soluble in DMSO (>25 mg/ml), ethanol (warm) (3 mg/ml), acetone (5 mg (plus 0.1 ml)), and chloroform. |
|---|---|
| Refractive Index | n20D1.62 |
| Boil Point(°C) | ~601.9° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 201-203° C |
| Molecular Weight | 372.400 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 372.083 Da |
| Monoisotopic Mass | 372.083 Da |
| Topological Polar Surface Area | 79.800 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 723.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
