TL;DR: 1-(Phenylsulfonyl)aziridine (CAS 10302-15-5) is a chemical compound with molecular formula C8H9NO2S and molecular weight 183.0354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(benzenesulfonyl)aziridine
Also Known As: 1-(benzenesulfonyl)aziridine, 1-(PHENYLSULFONYL)AZIRIDINE, 1-(Phenylsulphonyl)aziridine, Aziridine, 1-(phenylsulfonyl)-, N-Benzenesulfonylaziridine
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H9NO2S |
| Molecular Weight | 183.0354 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.0354 Da |
| Heavy Atoms | 12 |
| Complexity | 245.0 |
| SMILES | C1CN1S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | AXWKGBIMVDATLR-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Phenylsulfonyl)aziridine. With a topological polar surface area (TPSA) of 45.5 Ų, 1-(Phenylsulfonyl)aziridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Phenylsulfonyl)aziridine has 0 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 1-(Phenylsulfonyl)aziridine is 10302-15-5.
The molecular formula of 1-(Phenylsulfonyl)aziridine is C8H9NO2S.
The molecular weight of 1-(Phenylsulfonyl)aziridine is 183.0354 g/mol.
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