TL;DR: Bis(diethyldithiocarbamato-S,S')nickel (CAS 14267-17-5) is a chemical compound with molecular formula C10H20N2NiS4 and molecular weight 353.98627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(N,N-diethylcarbamodithioate);nickel(2+)
Also Known As: Nickel diethyldithiocarbamate, Nickel complex, Bis(diethyldithiocarbamato)nickel, N,N-diethylcarbamodithioate;nickel(2+), Diethyldithiocarbamic Acid Nickel Salt
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H20N2NiS4 |
| Molecular Weight | 353.98627 g/mol |
| XLogP | 2.32 |
| Topological Polar Surface Area (TPSA) | 72.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.98627 Da |
| Heavy Atoms | 17 |
| Complexity | 73.0 |
| SMILES | CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Ni+2] |
| InChIKey | NCLUCMXMAPDFGT-UHFFFAOYSA-L |
The XLogP value of 2.32 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(diethyldithiocarbamato-S,S')nickel. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(diethyldithiocarbamato-S,S')nickel. Following Lipinski's Rule of Five, Bis(diethyldithiocarbamato-S,S')nickel has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Bis(diethyldithiocarbamato-S,S')nickel is 14267-17-5.
The molecular formula of Bis(diethyldithiocarbamato-S,S')nickel is C10H20N2NiS4.
The molecular weight of Bis(diethyldithiocarbamato-S,S')nickel is 353.98627 g/mol.
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