≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CC1(C(N2C(S1=O)CC2=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C |
|---|---|
| IUPAC Name | benzhydryl (2S,5R)-3,3-dimethyl-4,7-dioxo-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| InChIKey | AZIUCAWYSMPKQK-HVHNRQALSA-N |
| INCHI | 1S/C21H21NO4S/c1-21(2)19(22-16(23)13-17(22)27(21)25)20(24)26-18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17-19H,13H2,1-2H3/t17-,19+,27?/m1/s1 |
| Isómeros SMILES | CC1([C@@H](N2[C@H](S1=O)CC2=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C |
| PubChem CID | 11463228 |
| Peso molecular | 383.46 |
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 | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Alpha amino acid esters Benzyloxycarbonyls Penams Thiazolidines Tertiary carboxylic acid amides Sulfoxides Carboxylic acid esters Azetidines Sulfinyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid ester - Diphenylmethane - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Penam - Thiazolidine - Tertiary carboxylic acid amide - Beta-lactam - Azetidine - Carboxylic acid ester - Lactam - Sulfoxide - Carboxamide group - Monocarboxylic acid or derivatives - Sulfinyl compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
| Peso molecular | 383.500 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 383.119 Da |
| Monoisotopic Mass | 383.119 Da |
| Topological Polar Surface Area | 82.900 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 604.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![(2S,5R)-Benzhydryl 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide - ≥95% CAS No(87579-78-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/S/1/S1062741.jpg)