1. Primary Information
| English name: | Monosultap |
| CAS No.: | 29547-00-0 |
| Molecular formula: | C5H12NNAO6S4 |
| Molecular weight: | 333.4 g/mol |
| SMILES: | CN(C)C(CSS(=O)(=O)O)CSS(=O)(=O)[O-].[Na+] |
| Structural class: | |
| Other identifiers: |
2-dimethylamino-1,3-bisthiosulfopropane 2-N,N-dimethylamino-1-thiosulphate-3-(sodium thiosulphate)propane ammonium dimethyl-2-(propano-1,3-dithiosulfate) dimehypo DMAPDT |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1ml | 100μg/ml in methanol | 80 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;2-(dimethylamino)-1-sulfonatosulfanyl-3-sulfosulfanylpropane
4.2 InChI
InChI=1S/C5H13NO6S4.Na/c1-6(2)5(3-13-15(7,8)9)4-14-16(10,11)12;/h5H,3-4H2,1-2H3,(H,7,8,9)(H,10,11,12);/q;+1/p-1
4.3 InChIKey
MBNMHBAJUNHZRE-UHFFFAOYSA-M
4.4 Canonical SMILES
CN(C)C(CSS(=O)(=O)O)CSS(=O)(=O)[O-].[Na+]
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 --
