TL;DR: 2-(Methylsulfonyl)-1-pyridin-2-ylethanone (CAS 144284-25-3) is a chemical compound with molecular formula C8H9NO3S and molecular weight 199.03032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylsulfonyl-1-pyridin-2-ylethanone
Also Known As: N-Acetyl-D-cysteine, 2-(Methylsulfonyl)-1-pyridin-2-ylethanone, 2-methylsulfonyl-1-(pyridin-2-yl)ethanone, 2-(Methylsulfonyl)-1-(pyridin-2-yl)ethanone, 2,4,5-Trifluorobenzyl alcohol
| Molecular Formula | C8H9NO3S |
| Molecular Weight | 199.03032 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.03032 Da |
| Heavy Atoms | 13 |
| Complexity | 278.0 |
| SMILES | CS(=O)(=O)CC(=O)C1=CC=CC=N1 |
| InChIKey | ZGMMUHVILAEGAA-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylsulfonyl)-1-pyridin-2-ylethanone. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylsulfonyl)-1-pyridin-2-ylethanone. Following Lipinski's Rule of Five, 2-(Methylsulfonyl)-1-pyridin-2-ylethanone 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)-1-pyridin-2-ylethanone is 144284-25-3.
The molecular formula of 2-(Methylsulfonyl)-1-pyridin-2-ylethanone is C8H9NO3S.
The molecular weight of 2-(Methylsulfonyl)-1-pyridin-2-ylethanone is 199.03032 g/mol.
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