≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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)C(CC(=O)O)SP(=S)(OC)OC |
|---|---|
| IUPAC Name | 3-dimethoxyphosphinothioylsulfanyl-4-ethoxy-4-oxobutanoic acid |
| InChIKey | FARGSBYVTRDSKX-UHFFFAOYSA-N |
| INCHI | 1S/C8H15O6PS2/c1-4-14-8(11)6(5-7(9)10)17-15(16,12-2)13-3/h6H,4-5H2,1-3H3,(H,9,10) |
| Isomeric SMILES | CCOC(=O)C(CC(=O)O)SP(=S)(OC)OC |
| PubChem CID | 3032927 |
| Molecular Weight | 302.3 |
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 | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thia fatty acids |
| Alternative Parents | Fatty acid esters Dithiophosphate S-esters Dithiophosphate O-esters Dicarboxylic acids and derivatives Carboxylic acid esters Sulfenyl compounds Organothiophosphorus compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Thia fatty acid - Dicarboxylic acid or derivatives - Dithiophosphate o-ester - Dithiophosphate s-ester - Organic dithiophosphate - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Organothiophosphorus compound - Sulfenyl compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain. |
| External Descriptors | Not available |
| Molecular Weight | 302.300 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 302.005 Da |
| Monoisotopic Mass | 302.005 Da |
| Topological Polar Surface Area | 139.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 313.000 |
| 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 |
