TL;DR: 3-Chloro-2-hydroxypropane-1-sulfonic acid (CAS 107-57-3) is a chemical compound with molecular formula C3H7ClO4S and molecular weight 173.97536 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-2-hydroxypropane-1-sulfonic acid
Also Known As: 3-chloro-2-hydroxypropane-1-sulfonic acid, 3-Chloro-2-hydroxypropanesulphonic acid, Sodium epichlorohydrinsulfonate, Sodiumchlorooxypropanesulfonate, 3-Chloro-2-hydroxypropanesulfonic acid
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C3H7ClO4S |
| Molecular Weight | 173.97536 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.97536 Da |
| Heavy Atoms | 9 |
| Complexity | 157.0 |
| SMILES | C(C(CCl)O)S(=O)(=O)O |
| InChIKey | DDLBHIIDBLGOTE-UHFFFAOYSA-N |
The XLogP value of -0.9 indicates that 3-Chloro-2-hydroxypropane-1-sulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-2-hydroxypropane-1-sulfonic acid. Following Lipinski's Rule of Five, 3-Chloro-2-hydroxypropane-1-sulfonic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Chloro-2-hydroxypropane-1-sulfonic acid is 107-57-3.
The molecular formula of 3-Chloro-2-hydroxypropane-1-sulfonic acid is C3H7ClO4S.
The molecular weight of 3-Chloro-2-hydroxypropane-1-sulfonic acid is 173.97536 g/mol.
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