Phenol, thiobis[dodecyl-, barium salt (1:1)
TL;DR: Phenol, thiobis[dodecyl-, barium salt (1:1) (CAS 68832-80-4) is a chemical compound with molecular formula C36H56BaO2S and molecular weight 690.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);2-dodecyl-6-(3-dodecyl-2-oxidophenyl)sulfanylphenolate
Also Known As: Dodecylphenol sulfide, barium salt, Barium thiobis(dodecylphenolate), Barium thiobis[dodecylphenolate], Phenol, thiobis(dodecyl-, barium salt (1:1), Phenol, thiobis[dodecyl-, barium salt (1:1)
| Molecular Formula | C36H56BaO2S |
|---|---|
| Molecular Weight | 690.31 g/mol |
| LogP | 10.531 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 24 |
| Exact Mass | 690.30536 |
| Heavy Atoms | 40 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 68832-80-4 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=C(C(=CC=C1)SC2=CC=CC(=C2[O-])CCCCCCCCCCCC)[O-].[Ba+2] |
| InChIKey | KDLZNYMSEVMRTQ-UHFFFAOYSA-L |
Product Overview
Phenol, thiobis[dodecyl-, barium salt (1:1) (CAS 68832-80-4), with molecular formula C36H56BaO2S and molecular weight 690.31 g/mol. IUPAC: barium(2+);2-dodecyl-6-(3-dodecyl-2-oxidophenyl)sulfanylphenolate.
Chemical Property Profile of Phenol, thiobis[dodecyl-, barium salt (1:1)
Property Insights of Phenol, thiobis[dodecyl-, barium salt (1:1)
The XLogP value of 10.531 indicates that Phenol, thiobis[dodecyl-, barium salt (1:1) 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 Phenol, thiobis[dodecyl-, barium salt (1:1). Following Lipinski's Rule of Five, Phenol, thiobis[dodecyl-, barium salt (1:1) 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 Phenol, thiobis[dodecyl-, barium salt (1:1)?
The CAS number of Phenol, thiobis[dodecyl-, barium salt (1:1) is 68832-80-4.
What is the molecular formula of Phenol, thiobis[dodecyl-, barium salt (1:1)?
The molecular formula of Phenol, thiobis[dodecyl-, barium salt (1:1) is C36H56BaO2S.
What is the molecular weight of Phenol, thiobis[dodecyl-, barium salt (1:1)?
The molecular weight of Phenol, thiobis[dodecyl-, barium salt (1:1) is 690.31 g/mol.
Where can I buy Phenol, thiobis[dodecyl-, barium salt (1:1)?
You can request a quote for Phenol, thiobis[dodecyl-, barium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, thiobis[dodecyl-, barium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, thiobis[dodecyl-, barium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.