TL;DR: 6-Chloro-9lambda~6~-thiabicyclo[3.3.1]non-2-ene-9,9-dione (CAS 15298-66-5) is a chemical compound with molecular formula C8H11ClO2S and molecular weight 206.01683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide
Also Known As: 6-chloro-9, AE-477/13519293, 6-Chloro-9lambda~6~-thiabicyclo[3.3.1]non-2-ene-9,9-dione, 6-chloro-9-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide, 6-chloro-9lambda6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide
| Molecular Formula | C8H11ClO2S |
| Molecular Weight | 206.01683 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.01683 Da |
| Heavy Atoms | 12 |
| Complexity | 302.0 |
| SMILES | C1CC(C2CC=CC1S2(=O)=O)Cl |
| InChIKey | ZEAOMAZLLAHTAP-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-9lambda~6~-thiabicyclo[3.3.1]non-2-ene-9,9-dione. With a topological polar surface area (TPSA) of 42.5 Ų, 6-Chloro-9lambda~6~-thiabicyclo[3.3.1]non-2-ene-9,9-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-9lambda~6~-thiabicyclo[3.3.1]non-2-ene-9,9-dione 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 6-Chloro-9lambda~6~-thiabicyclo[3.3.1]non-2-ene-9,9-dione is 15298-66-5.
The molecular formula of 6-Chloro-9lambda~6~-thiabicyclo[3.3.1]non-2-ene-9,9-dione is C8H11ClO2S.
The molecular weight of 6-Chloro-9lambda~6~-thiabicyclo[3.3.1]non-2-ene-9,9-dione is 206.01683 g/mol.
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