≥98.5%, Single Metal≤200ppb;Total Metal≤300ppb for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads 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 | CCCCCCC(=NOC(=O)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3 |
|---|---|
| IUPAC Name | [[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate |
| InChIKey | LOCXTTRLSIDGPS-UHFFFAOYSA-N |
| INCHI | 1S/C27H27NO3S/c1-2-3-4-11-16-25(28-31-27(30)22-12-7-5-8-13-22)26(29)21-17-19-24(20-18-21)32-23-14-9-6-10-15-23/h5-10,12-15,17-20H,2-4,11,16H2,1H3 |
| Isómeros SMILES | CCCCCCC(=NOC(=O)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3 |
| Peso molecular | 445.57 |
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 | Butyrophenones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Butyrophenones |
| Alternative Parents | Diarylthioethers Benzoic acids and derivatives Thiophenol ethers Benzoyl derivatives Aryl ketones Oxime esters Sulfenyl compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Butyrophenone - Diarylthioether - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Aryl ketone - Oximester - Ketone - Thioether - Carboxylic acid derivative - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety. |
| External Descriptors | Not available |
| Sensibilidad | air sensitive，heat sensitive |
|---|---|
| Punto de fusión (°C) | 40-44℃ |
| Peso molecular | 445.600 g/mol |
| XLogP3 | 7.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 12 |
| Exact Mass | 445.171 Da |
| Monoisotopic Mass | 445.171 Da |
| Topological Polar Surface Area | 81.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 600.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
![1- [4- (phenylthio) phenyl] -1,2-octanedione 2- (O-benzoyl oxime) - ≥99%,Single Metal≤200ppb;Total Metal≤300ppb CAS No(253585-83-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/O/1/O1520429.jpg)