TL;DR: 2-(Methylsulfonyl)quinoxaline (CAS 16310-37-5) is a chemical compound with molecular formula C9H8N2O2S and molecular weight 208.03065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylsulfonylquinoxaline
Also Known As: 2-methylsulfonylquinoxaline, 2-(Methylsulfonyl)quinoxaline, Quinoxaline, 2-(methylsulfonyl)-, 2-methanesulfonylquinoxaline, 2-Methansulfonyl-chinoxalin
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H8N2O2S |
| Molecular Weight | 208.03065 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.03065 Da |
| Heavy Atoms | 14 |
| Complexity | 296.0 |
| SMILES | CS(=O)(=O)C1=NC2=CC=CC=C2N=C1 |
| InChIKey | NZASRUIRVGIRJM-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylsulfonyl)quinoxaline. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylsulfonyl)quinoxaline. Following Lipinski's Rule of Five, 2-(Methylsulfonyl)quinoxaline has 0 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 2-(Methylsulfonyl)quinoxaline is 16310-37-5.
The molecular formula of 2-(Methylsulfonyl)quinoxaline is C9H8N2O2S.
The molecular weight of 2-(Methylsulfonyl)quinoxaline is 208.03065 g/mol.
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