≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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 | CCOC(=O)C1CSCC1=O |
|---|---|
| IUPAC Name | ethyl 4-oxothiolane-3-carboxylate |
| InChIKey | FHZHUDGRHVZVTF-UHFFFAOYSA-N |
| INCHI | 1S/C7H10O3S/c1-2-10-7(9)5-3-11-4-6(5)8/h5H,2-4H2,1H3 |
| Isomeric SMILES | CCOC(=O)C1CSCC1=O |
| PubChem CID | 310629 |
| Molecular Weight | 174.22 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,3-dicarbonyl compounds |
| Alternative Parents | Thiolanes Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 1,3-dicarbonyl compound - Thiolane - Cyclic ketone - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Dialkylthioether - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any group. |
| External Descriptors | Not available |
| Molecular Weight | 174.220 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 174.035 Da |
| Monoisotopic Mass | 174.035 Da |
| Topological Polar Surface Area | 68.700 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 179.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
