TL;DR: 4-S-Cysteaminylphenol (CAS 91281-34-4) is a chemical compound with molecular formula C8H11NOS and molecular weight 169.05614 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-aminoethylsulfanyl)phenol
Also Known As: 4-S-Cysteaminylphenol, 4-((2-Aminoethyl)thio)phenol, 4-(2-aminoethylsulfanyl)phenol, 4-[(2-aminoethyl)sulfanyl]phenol, 4-(2-aminoethylthio)phenol
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H11NOS |
| Molecular Weight | 169.05614 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 71.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.05614 Da |
| Heavy Atoms | 11 |
| Complexity | 102.0 |
| SMILES | C1=CC(=CC=C1O)SCCN |
| InChIKey | LGHNHPRURDSNNK-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-S-Cysteaminylphenol. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-S-Cysteaminylphenol. Following Lipinski's Rule of Five, 4-S-Cysteaminylphenol has 2 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 4-S-Cysteaminylphenol is 91281-34-4.
The molecular formula of 4-S-Cysteaminylphenol is C8H11NOS.
The molecular weight of 4-S-Cysteaminylphenol is 169.05614 g/mol.
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