TL;DR: (4R)-4-[(1S)-3,3-diethoxy-1-hydroxypropyl]-1,3-oxathiolane-2-thione (CAS 138560-04-0) is a chemical compound with molecular formula C10H18O4S2 and molecular weight 266.06464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R)-4-[(1S)-3,3-diethoxy-1-hydroxypropyl]-1,3-oxathiolane-2-thione
Also Known As: NCI60_019053, (4R)-4-[(1S)-3,3-diethoxy-1-hydroxy-propyl]-1,3-oxathiolane-2-thione, (4R)-4-[(1S)-3,3-diethoxy-1-hydroxypropyl]-1,3-oxathiolane-2-thione, [4R,(1'S)]-4-[(3,3-Bis(ethoxy)-1-hydroxy-propyl]-[1,3]oxathiolane-2-thione, D-erythro-Pentose, 2-deoxy-4-thio-, diethyl acetal, cyclic 4,5-carbonodithioate
| Molecular Formula | C10H18O4S2 |
| Molecular Weight | 266.06464 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.06464 Da |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
| SMILES | CCOC(C[C@@H]([C@H]1COC(=S)S1)O)OCC |
| InChIKey | JEWSOKJFFIJVSC-JGVFFNPUSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4R)-4-[(1S)-3,3-diethoxy-1-hydroxypropyl]-1,3-oxathiolane-2-thione. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4R)-4-[(1S)-3,3-diethoxy-1-hydroxypropyl]-1,3-oxathiolane-2-thione. Following Lipinski's Rule of Five, (4R)-4-[(1S)-3,3-diethoxy-1-hydroxypropyl]-1,3-oxathiolane-2-thione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (4R)-4-[(1S)-3,3-diethoxy-1-hydroxypropyl]-1,3-oxathiolane-2-thione is 138560-04-0.
The molecular formula of (4R)-4-[(1S)-3,3-diethoxy-1-hydroxypropyl]-1,3-oxathiolane-2-thione is C10H18O4S2.
The molecular weight of (4R)-4-[(1S)-3,3-diethoxy-1-hydroxypropyl]-1,3-oxathiolane-2-thione is 266.06464 g/mol.
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