TL;DR: 2-(Phenylsulfonyl)ethanol (CAS 20611-21-6) is a chemical compound with molecular formula C8H10O3S and molecular weight 186.03506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzenesulfonyl)ethanol
Also Known As: 2-(Phenylsulfonyl)ethanol, 2-(Benzenesulfonyl)ethanol, BHO, triplet, 2- ethanol, ETHANOL, 2-(PHENYLSULFONYL)-
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H10O3S |
| Molecular Weight | 186.03506 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.03506 Da |
| Heavy Atoms | 12 |
| Complexity | 209.0 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CCO |
| InChIKey | PQVYYVANSPZIKE-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Phenylsulfonyl)ethanol. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Phenylsulfonyl)ethanol. Following Lipinski's Rule of Five, 2-(Phenylsulfonyl)ethanol 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 2-(Phenylsulfonyl)ethanol is 20611-21-6.
The molecular formula of 2-(Phenylsulfonyl)ethanol is C8H10O3S.
The molecular weight of 2-(Phenylsulfonyl)ethanol is 186.03506 g/mol.
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