1. Primary Information
| English name: | Nereistoxin oxalate |
| CAS No.: | 1631-52-3 |
| Molecular formula: | C7H13NO4S2 |
| Molecular weight: | 239.3 g/mol |
| SMILES: | CN(C)C1CSSC1.C(=O)(C(=O)O)O |
| Structural class: | |
| Other identifiers: |
4-N,N-dimethylamino-1,2-dithiolane nereistoxin nereistoxin hydrochloride nereistoxin monooxalate nereistoxin oxalate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1ml | 100μg/ml in methanol | 96 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1ml | 100μg/ml in methanol | 104 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
N,N-dimethyldithiolan-4-amine;oxalic acid
4.2 InChI
InChI=1S/C5H11NS2.C2H2O4/c1-6(2)5-3-7-8-4-5;3-1(4)2(5)6/h5H,3-4H2,1-2H3;(H,3,4)(H,5,6)
4.3 InChIKey
CTHWFFMDTBCNNE-UHFFFAOYSA-N
4.4 Canonical SMILES
CN(C)C1CSSC1.C(=O)(C(=O)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
-- No 3D model data available --
