TL;DR: Bis(2-sodiothiosulfatoethyl)amine tetrahydrate (CAS 122413-81-4) is a chemical compound with molecular formula C4H9NNa2O6S4 and molecular weight 340.9108 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;1-sulfonatosulfanyl-2-(2-sulfonatosulfanylethylamino)ethane
Also Known As: Bis(2-sodiothiosulfatoethyl)amine tetrahydrate, S,S'-(Iminodi-2,1-ethanediylthiosulfate) disodium salt tetrahydrate, Thiosulfuric acid, S,S'-(iminodi-2,1-ethanediyl)ester, disodium salt, tetrahydrate, Disodium S,S'-[azanediyldi(ethane-2,1-diyl)] disulfurothioate, disodium 1-sulfonatosulfanyl-2-(2-sulfonatosulfanylethylamino)ethane
| Molecular Formula | C4H9NNa2O6S4 |
| Molecular Weight | 340.9108 g/mol |
| XLogP | -7.0292 |
| Topological Polar Surface Area (TPSA) | 194.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.9108 Da |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
| SMILES | C(CSS(=O)(=O)[O-])NCCSS(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | GISMTKDXXGDDFB-UHFFFAOYSA-L |
The XLogP value of -7.0292 indicates that Bis(2-sodiothiosulfatoethyl)amine tetrahydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 194.0 Ų indicates high polarity, suggesting Bis(2-sodiothiosulfatoethyl)amine tetrahydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(2-sodiothiosulfatoethyl)amine tetrahydrate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Bis(2-sodiothiosulfatoethyl)amine tetrahydrate is 122413-81-4.
The molecular formula of Bis(2-sodiothiosulfatoethyl)amine tetrahydrate is C4H9NNa2O6S4.
The molecular weight of Bis(2-sodiothiosulfatoethyl)amine tetrahydrate is 340.9108 g/mol.
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