TL;DR: Diphenyl sulfone (CAS 127-63-9) is a chemical compound with molecular formula C12H10O2S and molecular weight 218.04015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzenesulfonylbenzene
Also Known As: Diphenyl sulfone, Sulfonyldibenzene, Phenyl sulfone, Sulfobenzide, DIPHENYLSULFONE
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H10O2S |
| Molecular Weight | 218.04015 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.04015 Da |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
| Vapor Pressure | 0.0000153 [mmHg] |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | KZTYYGOKRVBIMI-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diphenyl sulfone. With a topological polar surface area (TPSA) of 42.5 Ų, Diphenyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenyl sulfone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Diphenyl sulfone is 127-63-9.
The molecular formula of Diphenyl sulfone is C12H10O2S.
The molecular weight of Diphenyl sulfone is 218.04015 g/mol.
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