≥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.
| Canonical Smiles | CC(=S)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F |
|---|---|
| IUPAC Name | N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide |
| InChIKey | ARKKSPJWSZIEQK-ZDUSSCGKSA-N |
| INCHI | 1S/C16H20FN3O3S/c1-11(24)18-9-13-10-20(16(21)23-13)12-2-3-15(14(17)8-12)19-4-6-22-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,24)/t13-/m0/s1 |
| Isomeric SMILES | CC(=S)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F |
| PubChem CID | 12040041 |
| Molecular Weight | 353.41 |
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 | Organoheterocyclic compounds |
| Class | Oxazinanes |
| Subclass | Morpholines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmorpholines |
| Alternative Parents | Aniline and substituted anilines Dialkylarylamines Fluorobenzenes Oxazolidinones Aryl fluorides Thioamides Carbamate esters Thiocarboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Thiocarbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylmorpholine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Oxazolidinone - Benzenoid - Thioamide - Carbamic acid ester - Oxazolidine - Tertiary amine - Azacycle - Oxacycle - Thiocarboxylic acid amide - Dialkyl ether - Ether - Thiocarbonyl group - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 353.400 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 353.121 Da |
| Monoisotopic Mass | 353.121 Da |
| Topological Polar Surface Area | 86.100 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 475.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
