≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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.
| Canonical Smiles | CC1(COC(=O)N1C2=NC(=CS2)C3=CC=C(C=C3)C#N)C |
|---|---|
| IUPAC Name | 4-[2-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]benzonitrile |
| InChIKey | OLHKCEIOFAUDPT-UHFFFAOYSA-N |
| INCHI | 1S/C15H13N3O2S/c1-15(2)9-20-14(19)18(15)13-17-12(8-21-13)11-5-3-10(7-16)4-6-11/h3-6,8H,9H2,1-2H3 |
| Isomeric SMILES | CC1(COC(=O)N1C2=NC(=CS2)C3=CC=C(C=C3)C#N)C |
| PubChem CID | 24738462 |
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 | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | 2,4-disubstituted thiazoles Oxazolidinones Heteroaromatic compounds Carbamate esters Oxacyclic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzonitrile - 2,4-disubstituted 1,3-thiazole - Oxazolidinone - Azole - Oxazolidine - Thiazole - Carbamic acid ester - Heteroaromatic compound - Organoheterocyclic compound - Nitrile - Carbonitrile - Azacycle - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| External Descriptors | Not available |
| Molecular Weight | 299.300 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 299.073 Da |
| Monoisotopic Mass | 299.073 Da |
| Topological Polar Surface Area | 94.500 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 465.000 |
| 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 |
![4-[2-(4,4-Dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]benzonitrile - ≥98% CAS No(1007581-62-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/9/D963084.jpg)