TL;DR: Thoron (reagent) (CAS 132-33-2) is a chemical compound with molecular formula C16H13AsN2O10S2 and molecular weight 531.9227 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2-arsonophenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
Also Known As: thoron, Thoron (reagent), Naphtharson, Thorin, Thoron[reagent]
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H13AsN2O10S2 |
| Molecular Weight | 531.9227 g/mol |
| XLogP | 1.02 |
| Topological Polar Surface Area (TPSA) | 228.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.9227 Da |
| Heavy Atoms | 31 |
| Complexity | 938.0 |
| SMILES | C1=CC=C(C(=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O)[As](=O)(O)O |
| InChIKey | XQVKLMRIZCRVPO-UHFFFAOYSA-N |
The XLogP value of 1.02 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thoron (reagent). The TPSA of 228.0 Ų indicates high polarity, suggesting Thoron (reagent) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thoron (reagent) has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Thoron (reagent) is 132-33-2.
The molecular formula of Thoron (reagent) is C16H13AsN2O10S2.
The molecular weight of Thoron (reagent) is 531.9227 g/mol.
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