TL;DR: 2H-1,3-Thiazin-2-one, 3,3'-(1,6-hexanediyl)bis(tetrahydro-4-thioxo- (CAS 111480-08-1) is a chemical compound with molecular formula C14H20N2O2S4 and molecular weight 376.04077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[6-(2-oxo-4-sulfanylidene-1,3-thiazinan-3-yl)hexyl]-4-sulfanylidene-1,3-thiazinan-2-one
Also Known As: 2H-1,3-Thiazin-2-one, 3,3'-(1,6-hexanediyl)bis(tetrahydro-4-thioxo-, 3,3'-(1,6-Hexanediyl)bis(tetrahydro-4-thioxo-2H-1,3-thiazin-2-one), 3,3'-(Hexane-1,6-diyl)bis(4-sulfanylidene-1,3-thiazinan-2-one), 3-[6-(2-oxo-4-sulfanylidene-1,3-thiazinan-3-yl)hexyl]-4-sulfanylidene-1,3-thiazinan-2-one
| Molecular Formula | C14H20N2O2S4 |
| Molecular Weight | 376.04077 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.04077 Da |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
| SMILES | C1CSC(=O)N(C1=S)CCCCCCN2C(=S)CCSC2=O |
| InChIKey | WQDLBHJJNSIKFR-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3-Thiazin-2-one, 3,3'-(1,6-hexanediyl)bis(tetrahydro-4-thioxo-. The TPSA of 155.0 Ų indicates high polarity, suggesting 2H-1,3-Thiazin-2-one, 3,3'-(1,6-hexanediyl)bis(tetrahydro-4-thioxo- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2H-1,3-Thiazin-2-one, 3,3'-(1,6-hexanediyl)bis(tetrahydro-4-thioxo- 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 2H-1,3-Thiazin-2-one, 3,3'-(1,6-hexanediyl)bis(tetrahydro-4-thioxo- is 111480-08-1.
The molecular formula of 2H-1,3-Thiazin-2-one, 3,3'-(1,6-hexanediyl)bis(tetrahydro-4-thioxo- is C14H20N2O2S4.
The molecular weight of 2H-1,3-Thiazin-2-one, 3,3'-(1,6-hexanediyl)bis(tetrahydro-4-thioxo- is 376.04077 g/mol.
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