TL;DR: RefChem:82732 (CAS 62654-18-6) is a chemical compound with molecular formula C12Cl4O8Th and molecular weight 643.8728 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate);thorium(4+)
Also Known As: C6H2Cl2O4.1/2Th, THORIUM CHLOROANILATE, REAG, C6-H2-Cl2-O4.1/2Th, 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, thorium(4+) salt (2:1), THORIUM CHLOROANILATE, REAGENT GRADE
| Molecular Formula | C12Cl4O8Th |
| Molecular Weight | 643.8728 g/mol |
| XLogP | -2.48 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 645.8698 Da |
| Heavy Atoms | 25 |
| Complexity | 275.0 |
| SMILES | C1(=C(C(=O)C(=C(C1=O)Cl)[O-])Cl)[O-].C1(=C(C(=O)C(=C(C1=O)Cl)[O-])Cl)[O-].[Th+4] |
| InChIKey | SKVRZKDJYMQSKB-UHFFFAOYSA-J |
The XLogP value of -2.48 indicates that RefChem:82732 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting RefChem:82732 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:82732 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:82732 is 62654-18-6.
The molecular formula of RefChem:82732 is C12Cl4O8Th.
The molecular weight of RefChem:82732 is 643.8728 g/mol.
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