TL;DR: Aluminum, tris(diethyldithiocarbamato)- (CAS 110975-13-8) is a chemical compound with molecular formula C15H30AlN3S6 and molecular weight 471.05795 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
aluminum tris(N,N-diethylcarbamodithioate)
Also Known As: Tris(diethyldithiocarbamato)aluminum, Aluminum, tris(diethyldithiocarbamato)-, Carbamic acid, diethyldithio-, aluminum salt, aluminum N,N-diethylcarbamodithioate, Aluminium tris(diethylcarbamodithioate)
| Molecular Formula | C15H30AlN3S6 |
| Molecular Weight | 471.05795 g/mol |
| XLogP | 3.0992 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.05795 Da |
| Heavy Atoms | 25 |
| Complexity | 73.0 |
| SMILES | CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Al+3] |
| InChIKey | UZIBKHMZZAZZEZ-UHFFFAOYSA-K |
The XLogP value of 3.0992 indicates that Aluminum, tris(diethyldithiocarbamato)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aluminum, tris(diethyldithiocarbamato)-. Following Lipinski's Rule of Five, Aluminum, tris(diethyldithiocarbamato)- 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 Aluminum, tris(diethyldithiocarbamato)- is 110975-13-8.
The molecular formula of Aluminum, tris(diethyldithiocarbamato)- is C15H30AlN3S6.
The molecular weight of Aluminum, tris(diethyldithiocarbamato)- is 471.05795 g/mol.
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