≥95% 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.
| Canonical Smiles | C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=CC(=C(C(=C3O)O)O)C(=O)C4=NC5=CC=CC=C5S4 |
|---|---|
| IUPAC Name | [5-(1,3-benzothiazole-2-carbonyl)-2,3,4-trihydroxyphenyl]-(4-phenoxyphenyl)methanone |
| InChIKey | CYBLECRKSFPWGB-UHFFFAOYSA-N |
| INCHI | 1S/C27H17NO6S/c29-22(15-10-12-17(13-11-15)34-16-6-2-1-3-7-16)18-14-19(24(31)26(33)23(18)30)25(32)27-28-20-8-4-5-9-21(20)35-27/h1-14,30-31,33H |
| Molecular Weight | 483.5 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzophenones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzophenones |
| Alternative Parents | Aryl-phenylketones Diphenylethers Diphenylmethanes Diarylethers 5-unsubstituted pyrrogallols Benzothiazoles Benzoyl derivatives Phenoxy compounds Phenol ethers 1-hydroxy-4-unsubstituted benzenoids Thiazoles Vinylogous acids Heteroaromatic compounds Polyols Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzophenone - Diphenylmethane - Diphenylether - Aryl-phenylketone - Diaryl ether - Benzenetriol - 1,3-benzothiazole - 5-unsubstituted pyrrogallol - Pyrogallol derivative - Benzoyl - Phenoxy compound - Phenol ether - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Heteroaromatic compound - Azole - Vinylogous acid - Thiazole - Ketone - Ether - Organoheterocyclic compound - Azacycle - Polyol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 483.500 g/mol |
|---|---|
| XLogP3 | 7.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 483.078 Da |
| Monoisotopic Mass | 483.078 Da |
| Topological Polar Surface Area | 145.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 752.000 |
| 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 |
![Benzo[d]thiazol-2-yl(2,3,4-trihydroxy-5-(4-phenoxybenzoyl)phenyl)methanone - ≥95% , CAS No.877878-47-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)