TL;DR: 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5-ethoxy-5,6-dihydro- (CAS 110789-38-3) is a chemical compound with molecular formula C7H8OS5 and molecular weight 267.91788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethoxy-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione
Also Known As: Ethoxyethylenedithio-1,3-dithiole-2-thione, 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5-ethoxy-5,6-dihydro-, AB01099695-03, 5-ethoxy-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione, 5-Ethoxy-5,6-dihydro-2H-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione
| Molecular Formula | C7H8OS5 |
| Molecular Weight | 267.91788 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.91788 Da |
| Heavy Atoms | 13 |
| Complexity | 262.0 |
| SMILES | CCOC1CSC2=C(S1)SC(=S)S2 |
| InChIKey | TWHJJNTZBIVFTJ-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5-ethoxy-5,6-dihydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5-ethoxy-5,6-dihydro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5-ethoxy-5,6-dihydro- has 0 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 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5-ethoxy-5,6-dihydro- is 110789-38-3.
The molecular formula of 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5-ethoxy-5,6-dihydro- is C7H8OS5.
The molecular weight of 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5-ethoxy-5,6-dihydro- is 267.91788 g/mol.
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