TL;DR: Thiodivaleric acid (CAS 1111-64-4) is a chemical compound with molecular formula C10H18O4S and molecular weight 234.09258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-carboxybutylsulfanyl)pentanoic acid
Also Known As: Thiodivaleric acid, 5,5'-Thiodivaleric acid, Pentanoic acid, 5,5'-thiobis-, Valeric acid, 5,5'-thiodi-, 5,5'-sulfanediyldipentanoic acid
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H18O4S |
| Molecular Weight | 234.09258 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 234.09258 Da |
| Heavy Atoms | 15 |
| Complexity | 174.0 |
| SMILES | C(CCSCCCCC(=O)O)CC(=O)O |
| InChIKey | ACAYZXFEFNEADF-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiodivaleric acid. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiodivaleric acid. Following Lipinski's Rule of Five, Thiodivaleric acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Thiodivaleric acid is 1111-64-4.
The molecular formula of Thiodivaleric acid is C10H18O4S.
The molecular weight of Thiodivaleric acid is 234.09258 g/mol.
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