TL;DR: 2-(Ethenylsulfonyl)ethyl acetate (CAS 105780-30-1) is a chemical compound with molecular formula C6H10O4S and molecular weight 178.02998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethenylsulfonylethyl acetate
Also Known As: 2-(ethenylsulfonyl)ethyl acetate, 2-ethenylsulfonylethyl acetate, 2-(ETHENESULFONYL)ETHYL ACETATE
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H10O4S |
| Molecular Weight | 178.02998 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.02998 Da |
| Heavy Atoms | 11 |
| Complexity | 234.0 |
| SMILES | CC(=O)OCCS(=O)(=O)C=C |
| InChIKey | QIZLPDQJPQVSPO-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethenylsulfonyl)ethyl acetate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Ethenylsulfonyl)ethyl acetate. Following Lipinski's Rule of Five, 2-(Ethenylsulfonyl)ethyl acetate 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-(Ethenylsulfonyl)ethyl acetate is 105780-30-1.
The molecular formula of 2-(Ethenylsulfonyl)ethyl acetate is C6H10O4S.
The molecular weight of 2-(Ethenylsulfonyl)ethyl acetate is 178.02998 g/mol.
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