TL;DR: 2-Thiazolidinethione, 3,3'-(1,6-dioxo-1,6-hexanediyl)bis- (CAS 74058-83-6) is a chemical compound with molecular formula C12H16N2O2S4 and molecular weight 348.00946 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,6-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)hexane-1,6-dione
Also Known As: 1,6-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)hexane-1,6-dione, 2-Thiazolidinethione, 3,3'-(1,6-dioxo-1,6-hexanediyl)bis-, 1,6-Bis(2-thioxo-3-thiazolidinyl)-1,6-hexanedione, 3,3'(1,6-dioxo-1,6-hexanediyl)bis-2-thiazolidinethione, 3,3 -[Tetramethylenebis(carbonyl)]bis(thiazolidine-2-thione)
| Molecular Formula | C12H16N2O2S4 |
| Molecular Weight | 348.00946 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.00946 Da |
| Heavy Atoms | 20 |
| Complexity | 401.0 |
| SMILES | C1CSC(=S)N1C(=O)CCCCC(=O)N2CCSC2=S |
| InChIKey | KWQQSWINFGXVOL-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiazolidinethione, 3,3'-(1,6-dioxo-1,6-hexanediyl)bis-. The TPSA of 155.0 Ų indicates high polarity, suggesting 2-Thiazolidinethione, 3,3'-(1,6-dioxo-1,6-hexanediyl)bis- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Thiazolidinethione, 3,3'-(1,6-dioxo-1,6-hexanediyl)bis- 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 2-Thiazolidinethione, 3,3'-(1,6-dioxo-1,6-hexanediyl)bis- is 74058-83-6.
The molecular formula of 2-Thiazolidinethione, 3,3'-(1,6-dioxo-1,6-hexanediyl)bis- is C12H16N2O2S4.
The molecular weight of 2-Thiazolidinethione, 3,3'-(1,6-dioxo-1,6-hexanediyl)bis- is 348.00946 g/mol.
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