![Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel structure](/static/products/4544/454475-31-1.webp)
Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel
TL;DR: Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel (CAS 454475-31-1) is a chemical compound with molecular formula C12H24N2NiS4 and molecular weight 382.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N-(2,2-dimethylpropyl)carbamodithioate);nickel(2+)
Also Known As: starbld0003760, Bis((neopentylcarbamothioyl)thio)nickel, Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel, N-(2,2-dimethylpropyl)carbamodithioate;nickel(2+), IUPAC: (2,2-dimethylpropylamino)methanedithioate; Nickel(+2) Cation
| Molecular Formula | C12H24N2NiS4 |
|---|---|
| Molecular Weight | 382.02 g/mol |
| LogP | 2.9053 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.01758 |
| Heavy Atoms | 19 |
| Complexity | 241.88339 |
Chemical Identifiers
| CAS Number | 454475-31-1 |
|---|---|
| SMILES | CC(C)(C)CNC(=S)[S-].CC(C)(C)CNC(=S)[S-].[Ni+2] |
Product Overview
Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel (CAS 454475-31-1), with molecular formula C12H24N2NiS4 and molecular weight 382.02 g/mol. IUPAC: bis(N-(2,2-dimethylpropyl)carbamodithioate);nickel(2+).
Chemical Property Profile of Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel
Property Insights of Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel
The XLogP value of 2.9053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel. With a topological polar surface area (TPSA) of 24.06 Ų, Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel has 2 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({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel?
The CAS number of Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel is 454475-31-1.
What is the molecular formula of Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel?
The molecular formula of Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel is C12H24N2NiS4.
What is the molecular weight of Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel?
The molecular weight of Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel is 382.02 g/mol.
Where can I buy Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel?
You can request a quote for Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel?
Yes, KEHONG BIO provides custom synthesis services for Bis({[(2,2-dimethylpropyl)carbamothioyl]sulfanyl})nickel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.