TL;DR: 5,6-Dihydro-6-methyl-4H-thieno(2,3-b)thiopyran-4-ol 7,7-dioxide, (4S,6S)- (CAS 147086-81-5) is a chemical compound with molecular formula C8H10O3S2 and molecular weight 218.00714 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
Also Known As: Trans-hydroxy sulfone, Dorzolamide Impurity 29, (4S,6S)-4-Hydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide, Tox21_113917, 7302AA
| Molecular Formula | C8H10O3S2 |
| Molecular Weight | 218.00714 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 91.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.00714 Da |
| Heavy Atoms | 13 |
| Complexity | 293.0 |
| SMILES | C[C@H]1C[C@@H](C2=C(S1(=O)=O)SC=C2)O |
| InChIKey | NFUQUGUUAUVBMO-FSPLSTOPSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dihydro-6-methyl-4H-thieno(2,3-b)thiopyran-4-ol 7,7-dioxide, (4S,6S)-. The TPSA of 91.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Dihydro-6-methyl-4H-thieno(2,3-b)thiopyran-4-ol 7,7-dioxide, (4S,6S)-. Following Lipinski's Rule of Five, 5,6-Dihydro-6-methyl-4H-thieno(2,3-b)thiopyran-4-ol 7,7-dioxide, (4S,6S)- 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 5,6-Dihydro-6-methyl-4H-thieno(2,3-b)thiopyran-4-ol 7,7-dioxide, (4S,6S)- is 147086-81-5.
The molecular formula of 5,6-Dihydro-6-methyl-4H-thieno(2,3-b)thiopyran-4-ol 7,7-dioxide, (4S,6S)- is C8H10O3S2.
The molecular weight of 5,6-Dihydro-6-methyl-4H-thieno(2,3-b)thiopyran-4-ol 7,7-dioxide, (4S,6S)- is 218.00714 g/mol.
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