1. Primary Information
| English name: | Asparagusic acid |
| CAS No.: | 2224-02-4 |
| Molecular formula: | C4H6O2S2 |
| Molecular weight: | 150.2 g/mol |
| SMILES: | C1C(CSS1)C(=O)O |
| Structural class: | |
| Other identifiers: |
1,2-dithiolane-4-carboxylic acid asparagusic acid |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 95% | 424 | 2-8℃ | in stock | - |
| Kehua Intelligence | 10mg | 95% | 672 | 2-8℃ | in stock | - |
| Kehua Intelligence | 50mg | 95% | 1640 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | 95% | 3040 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
dithiolane-4-carboxylic acid
4.2 InChI
InChI=1S/C4H6O2S2/c5-4(6)3-1-7-8-2-3/h3H,1-2H2,(H,5,6)
4.3 InChIKey
AYGMEFRECNWRJC-UHFFFAOYSA-N
4.4 Canonical SMILES
C1C(CSS1)C(=O)O
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
