TL;DR: 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol (CAS 137004-58-1) is a chemical compound with molecular formula C7H8O3S2 and molecular weight 203.99149 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
Also Known As: 5N-343S, 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol, 4-Hydroxy-3,4-dihydro-1Lambda6-thieno[2,3-B]thiopyran-1,1(2H)-dione, 4-hydroxy-2H,3H,4H-1??-thieno[2,3-b]thiopyran-1,1-dione, 4-Hydroxy-3,4-dihydrothieno[2,3-b]thiopyran-1,1(2H)-dione
| Molecular Formula | C7H8O3S2 |
| Molecular Weight | 203.99149 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 91.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.99149 Da |
| Heavy Atoms | 12 |
| Complexity | 267.0 |
| SMILES | C1CS(=O)(=O)C2=C(C1O)C=CS2 |
| InChIKey | MFTKAMUOHUPBRG-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol. The TPSA of 91.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol. Following Lipinski's Rule of Five, 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol has 1 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 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol is 137004-58-1.
The molecular formula of 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol is C7H8O3S2.
The molecular weight of 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol is 203.99149 g/mol.
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