TL;DR: 1-Octene-1-sulfonic acid (CAS 13257-43-7) is a chemical compound with molecular formula C8H16O3S and molecular weight 192.08202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
oct-1-ene-1-sulfonic acid
Also Known As: 1-Octene-1-sulfonic acid, oct-1-ene-1-sulfonic acid
| Molecular Formula | C8H16O3S |
| Molecular Weight | 192.08202 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.08202 Da |
| Heavy Atoms | 12 |
| Complexity | 211.0 |
| SMILES | CCCCCCC=CS(=O)(=O)O |
| InChIKey | FDVWKHPUNHWEJY-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Octene-1-sulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Octene-1-sulfonic acid. Following Lipinski's Rule of Five, 1-Octene-1-sulfonic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Octene-1-sulfonic acid is 13257-43-7.
The molecular formula of 1-Octene-1-sulfonic acid is C8H16O3S.
The molecular weight of 1-Octene-1-sulfonic acid is 192.08202 g/mol.
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