≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
Asparagusic acid is a sulfur-containing flavor component produced by Asparagus officinalis Linn., with anti-parasitic effect. Asparagusic acid is a plant growth inhibitor
In Vitro
Asparagusic acid is toxic to several plant parasitic nematodes and would be a major factor in resistance of asparagus. Asparagusic acid inhibits growth in lettuce and other seedlings at 6.67×10 -7 M to 6.67×10 -7 M. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:Human Endogenous Metabolite
| Canonical Smiles | C1C(CSS1)C(=O)O |
|---|---|
| IUPAC Name | dithiolane-4-carboxylic acid |
| InChIKey | AYGMEFRECNWRJC-UHFFFAOYSA-N |
| INCHI | 1S/C4H6O2S2/c5-4(6)3-1-7-8-2-3/h3H,1-2H2,(H,5,6) |
| Isomeric SMILES | C1C(CSS1)C(=O)O |
| PubChem CID | 16682 |
| Molecular Weight | 150.2 |
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 | Dithiolanes |
| Subclass | Dithiolanecarboxylic acids |
| Intermediate Tree Nodes | 1,2-dithiolanecarboxylic acids |
| Direct Parent | 1,2-dithiolane-4-carboxylic acids |
| Alternative Parents | 1,2-dithiolanes Organic disulfides Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 1,2-dithiolane-4-carboxylic acid - 1,2-dithiolane - Organic disulfide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,2-dithiolane-4-carboxylic acids. These are organic compounds containing a 1,2-dithiolane ring that bears a carboxylic acid group at the 4-position. |
| External Descriptors | dithiolanes - sulfur-containing carboxylic acid - dithiolanecarboxylic acid |
| Solubility | DMSO : ≥ 46 mg/mL (306.22 mM) |
|---|---|
| Molecular Weight | 150.200 g/mol |
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 149.981 Da |
| Monoisotopic Mass | 149.981 Da |
| Topological Polar Surface Area | 87.900 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 98.200 |
| 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 |
