![[[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel structure](/static/products/2757/27574-34-1.webp)
[[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel
TL;DR: [[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel (CAS 27574-34-1) is a chemical compound with molecular formula C28H40NiO2S and molecular weight 498.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nickel(2+);2-[2-oxido-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenolate
Also Known As: Nickel bis(p-octylphenol)sulfide, Nickel, [[2,2'-(thio-.kappa.S)bis[4-(1,1,3,3-tetramethylbutyl)phenolato-.kappa.O]](2-)]-, nickel(2+) 2,2'-sulfanediylbis[4-(2,4,4-trimethylpentan-2-yl)phenolate], ((2,2'-Thiobis(4-(1,1,3,3-tetramethylbutyl)phenolato))(2-)-O,O',S)nickel, [[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel
| Molecular Formula | C28H40NiO2S |
|---|---|
| Molecular Weight | 498.21 g/mol |
| LogP | 7.41 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.21024 |
| Heavy Atoms | 32 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 27574-34-1 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)[O-].[Ni+2] |
| InChIKey | VLCWFGZZAJZBLO-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel (CAS 27574-34-1), with molecular formula C28H40NiO2S and molecular weight 498.21 g/mol. IUPAC: nickel(2+);2-[2-oxido-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenolate.
Chemical Property Profile of [[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel
Property Insights of [[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel
The XLogP value of 7.41 indicates that [[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel. Following Lipinski's Rule of Five, [[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel?
The CAS number of [[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel is 27574-34-1.
What is the molecular formula of [[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel?
The molecular formula of [[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel is C28H40NiO2S.
What is the molecular weight of [[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel?
The molecular weight of [[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel is 498.21 g/mol.
Where can I buy [[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel?
You can request a quote for [[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel?
Yes, KEHONG BIO provides custom synthesis services for [[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.