TL;DR: 3-(10H-Phenothiazin-10-yl)propane-1-sulfonic acid (CAS 129808-92-0) is a chemical compound with molecular formula C15H15NO3S2 and molecular weight 321.04935 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenothiazin-10-ylpropane-1-sulfonic acid
Also Known As: 3-phenothiazin-10-ylpropane-1-sulfonic Acid, 3-(10H-Phenothiazin-10-yl)propane-1-sulfonic acid, 3-(10-Phenothiazinyl)propane-1-sulfonic acid, 10H-Phenothiazine-10-propanesulfonic acid, J2.739.061G
| Molecular Formula | C15H15NO3S2 |
| Molecular Weight | 321.04935 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.04935 Da |
| Heavy Atoms | 21 |
| Complexity | 426.0 |
| SMILES | C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCS(=O)(=O)O |
| InChIKey | ONVGBCNKVCPJCI-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 3-(10H-Phenothiazin-10-yl)propane-1-sulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(10H-Phenothiazin-10-yl)propane-1-sulfonic acid. Following Lipinski's Rule of Five, 3-(10H-Phenothiazin-10-yl)propane-1-sulfonic acid has 1 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 3-(10H-Phenothiazin-10-yl)propane-1-sulfonic acid is 129808-92-0.
The molecular formula of 3-(10H-Phenothiazin-10-yl)propane-1-sulfonic acid is C15H15NO3S2.
The molecular weight of 3-(10H-Phenothiazin-10-yl)propane-1-sulfonic acid is 321.04935 g/mol.
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