Bis(diisobutyldithiocarbamato)nickel
TL;DR: Bis(diisobutyldithiocarbamato)nickel (CAS 15317-78-9) is a chemical compound with molecular formula C18H36N2NiS4 and molecular weight 466.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N,N-bis(2-methylpropyl)carbamodithioate);nickel(2+)
Also Known As: Nickel diisobutyldithiocarbamate, Isobutyl niclate, Bis(diisobutyldithiocarbamato)nickel, Nickeldiisobutyldithiocarbamate, Nickel di-isobutyldithiocarbamate
| Molecular Formula | C18H36N2NiS4 |
|---|---|
| Molecular Weight | 466.11 g/mol |
| LogP | 4.86 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 466.11148 |
| Heavy Atoms | 25 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 15317-78-9 |
|---|---|
| SMILES | CC(C)CN(CC(C)C)C(=S)[S-].CC(C)CN(CC(C)C)C(=S)[S-].[Ni+2] |
| InChIKey | YCBUXHNUQAZVSS-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(diisobutyldithiocarbamato)nickel (CAS 15317-78-9), with molecular formula C18H36N2NiS4 and molecular weight 466.11 g/mol. IUPAC: bis(N,N-bis(2-methylpropyl)carbamodithioate);nickel(2+).
Chemical Property Profile of Bis(diisobutyldithiocarbamato)nickel
Property Insights of Bis(diisobutyldithiocarbamato)nickel
The XLogP value of 4.86 indicates that Bis(diisobutyldithiocarbamato)nickel 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 Bis(diisobutyldithiocarbamato)nickel. Following Lipinski's Rule of Five, Bis(diisobutyldithiocarbamato)nickel has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(diisobutyldithiocarbamato)nickel?
The CAS number of Bis(diisobutyldithiocarbamato)nickel is 15317-78-9.
What is the molecular formula of Bis(diisobutyldithiocarbamato)nickel?
The molecular formula of Bis(diisobutyldithiocarbamato)nickel is C18H36N2NiS4.
What is the molecular weight of Bis(diisobutyldithiocarbamato)nickel?
The molecular weight of Bis(diisobutyldithiocarbamato)nickel is 466.11 g/mol.
Where can I buy Bis(diisobutyldithiocarbamato)nickel?
You can request a quote for Bis(diisobutyldithiocarbamato)nickel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(diisobutyldithiocarbamato)nickel?
Yes, KEHONG BIO provides custom synthesis services for Bis(diisobutyldithiocarbamato)nickel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.