TL;DR: Benzenesulfonic acid, 2,2'-thiobis(5-nitro- (CAS 63216-88-6) is a chemical compound with molecular formula C12H8N2O10S3 and molecular weight 435.9341 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-nitro-2-(4-nitro-2-sulfophenyl)sulfanylbenzenesulfonic acid
Also Known As: benzenesulfonic acid, 2,2'-thiobis[5-nitro-, Bis(2-sulfo-4-nitrophenyl) sulfide, 2,2'-Thiobis(5-nitrobenzenesulphonic) acid, Benzenesulfonic acid, 2,2'-thiobis(5-nitro-, 2,2'-Thiobis(5-nitrobenzenesulfonic) acid
| Molecular Formula | C12H8N2O10S3 |
| Molecular Weight | 435.9341 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 242.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.9341 Da |
| Heavy Atoms | 27 |
| Complexity | 710.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O |
| InChIKey | LVUFXZAHTLUDST-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 2,2'-thiobis(5-nitro-. The TPSA of 242.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 2,2'-thiobis(5-nitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 2,2'-thiobis(5-nitro- has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzenesulfonic acid, 2,2'-thiobis(5-nitro- is 63216-88-6.
The molecular formula of Benzenesulfonic acid, 2,2'-thiobis(5-nitro- is C12H8N2O10S3.
The molecular weight of Benzenesulfonic acid, 2,2'-thiobis(5-nitro- is 435.9341 g/mol.
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