TL;DR: Copper, bis(N,N-dibutylcarbamodithioato-kappaS,kappaS')-, (SP-4-1)- (CAS 13927-71-4) is a chemical compound with molecular formula C18H36CuN2S4 and molecular weight 471.10574 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
copper bis(N,N-dibutylcarbamodithioate)
Also Known As: Copper dibutyldithiocarbamate, Copper(II) dibutyldithiocarbamate, copper;N,N-dibutylcarbamodithioate, Bis(dibutyldithiocarbamato)copper, Copper bis(dibutyldithiocarbamate)
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H36CuN2S4 |
| Molecular Weight | 471.10574 g/mol |
| XLogP | 5.44 |
| Topological Polar Surface Area (TPSA) | 72.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 471.10574 Da |
| Heavy Atoms | 25 |
| Complexity | 112.0 |
| SMILES | CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Cu+2] |
| InChIKey | IXPUJMULXNNEHS-UHFFFAOYSA-L |
The XLogP value of 5.44 indicates that Copper, bis(N,N-dibutylcarbamodithioato-kappaS,kappaS')-, (SP-4-1)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Copper, bis(N,N-dibutylcarbamodithioato-kappaS,kappaS')-, (SP-4-1)-. Following Lipinski's Rule of Five, Copper, bis(N,N-dibutylcarbamodithioato-kappaS,kappaS')-, (SP-4-1)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Copper, bis(N,N-dibutylcarbamodithioato-kappaS,kappaS')-, (SP-4-1)- is 13927-71-4.
The molecular formula of Copper, bis(N,N-dibutylcarbamodithioato-kappaS,kappaS')-, (SP-4-1)- is C18H36CuN2S4.
The molecular weight of Copper, bis(N,N-dibutylcarbamodithioato-kappaS,kappaS')-, (SP-4-1)- is 471.10574 g/mol.
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