TL;DR: Ethenylsulfonylmethylbenzene (CAS 15753-89-6) is a chemical compound with molecular formula C9H10O2S and molecular weight 182.04015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethenylsulfonylmethylbenzene
Also Known As: ethenylsulfonylmethylbenzene, benzyl vinyl sulfone, 1-[benzylsulfonyl]ethene, [(ethenesulfonyl)methyl]benzene, IFLab1_003656
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H10O2S |
| Molecular Weight | 182.04015 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.04015 Da |
| Heavy Atoms | 12 |
| Complexity | 230.0 |
| SMILES | C=CS(=O)(=O)CC1=CC=CC=C1 |
| InChIKey | CYHFPQIAMFXACF-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethenylsulfonylmethylbenzene. With a topological polar surface area (TPSA) of 42.5 Ų, Ethenylsulfonylmethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethenylsulfonylmethylbenzene 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 Ethenylsulfonylmethylbenzene is 15753-89-6.
The molecular formula of Ethenylsulfonylmethylbenzene is C9H10O2S.
The molecular weight of Ethenylsulfonylmethylbenzene is 182.04015 g/mol.
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