((2,2'-Thiobis(3-octylphenolato))(2-)-O,O',S)nickel
TL;DR: ((2,2'-Thiobis(3-octylphenolato))(2-)-O,O',S)nickel (CAS 33882-09-6) 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+);3-octyl-2-(2-octyl-6-oxidophenyl)sulfanylphenolate
Also Known As: EINECS 251-715-1, ((2,2'-Thiobis(3-octylphenolato))(2-)-O,O',S)nickel, [[2,2'-thiobis[3-octylphenolato]](2-)-O,O',S]nickel, Nickel(2+) 2,2'-sulfanediylbis(3-octylphenolate), nickel(2+); 3-octyl-2-(2-octyl-6-oxidophenyl)sulfanylphenolate
| Molecular Formula | C28H40NiO2S |
|---|---|
| Molecular Weight | 498.21 g/mol |
| LogP | 7.7885 |
| Topological Polar Surface Area | 46.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 498.21024 |
| Heavy Atoms | 32 |
| Complexity | 699.5928 |
Chemical Identifiers
| CAS Number | 33882-09-6 |
|---|---|
| SMILES | CCCCCCCCC1=C(C(=CC=C1)[O-])SC2=C(C=CC=C2[O-])CCCCCCCC.[Ni+2] |
Product Overview
((2,2'-Thiobis(3-octylphenolato))(2-)-O,O',S)nickel (CAS 33882-09-6), with molecular formula C28H40NiO2S and molecular weight 498.21 g/mol. IUPAC: nickel(2+);3-octyl-2-(2-octyl-6-oxidophenyl)sulfanylphenolate.
Chemical Property Profile of ((2,2'-Thiobis(3-octylphenolato))(2-)-O,O',S)nickel
Property Insights of ((2,2'-Thiobis(3-octylphenolato))(2-)-O,O',S)nickel
The XLogP value of 7.7885 indicates that ((2,2'-Thiobis(3-octylphenolato))(2-)-O,O',S)nickel is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.12 Ų, ((2,2'-Thiobis(3-octylphenolato))(2-)-O,O',S)nickel exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((2,2'-Thiobis(3-octylphenolato))(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(3-octylphenolato))(2-)-O,O',S)nickel?
The CAS number of ((2,2'-Thiobis(3-octylphenolato))(2-)-O,O',S)nickel is 33882-09-6.
What is the molecular formula of ((2,2'-Thiobis(3-octylphenolato))(2-)-O,O',S)nickel?
The molecular formula of ((2,2'-Thiobis(3-octylphenolato))(2-)-O,O',S)nickel is C28H40NiO2S.
What is the molecular weight of ((2,2'-Thiobis(3-octylphenolato))(2-)-O,O',S)nickel?
The molecular weight of ((2,2'-Thiobis(3-octylphenolato))(2-)-O,O',S)nickel is 498.21 g/mol.
Where can I buy ((2,2'-Thiobis(3-octylphenolato))(2-)-O,O',S)nickel?
You can request a quote for ((2,2'-Thiobis(3-octylphenolato))(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(3-octylphenolato))(2-)-O,O',S)nickel?
Yes, KEHONG BIO provides custom synthesis services for ((2,2'-Thiobis(3-octylphenolato))(2-)-O,O',S)nickel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.