Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl-
TL;DR: Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl- (CAS 3818-54-0) is a chemical compound with molecular formula C22H30O2S and molecular weight 358.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-4-(2-tert-butyl-4-hydroxy-6-methylphenyl)sulfanyl-5-methylphenol
Also Known As: 4,4'-Thiobis(5-tert-butyl-m-cresol), 4,4'-Thiobis[5-tert-butyl-m-cresol], Phenol, 4,4'-thiobis(3-(1,1-dimethylethyl)-5-methyl-, 4,4'-Sulfanediylbis(3-tert-butyl-5-methylphenol), m-Cresol,4,4'-thiobis[5-tert-butyl-(7CI,8CI)
| Molecular Formula | C22H30O2S |
|---|---|
| Molecular Weight | 358.20 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.19666 |
| Heavy Atoms | 25 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 3818-54-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1SC2=C(C=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O |
| InChIKey | MHIIENSHBMGNJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl- (CAS 3818-54-0), with molecular formula C22H30O2S and molecular weight 358.20 g/mol. IUPAC: 3-tert-butyl-4-(2-tert-butyl-4-hydroxy-6-methylphenyl)sulfanyl-5-methylphenol.
Chemical Property Profile of Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl-
Property Insights of Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl-
The XLogP value of 7.4 indicates that Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl-. Following Lipinski's Rule of Five, Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl- has 2 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, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl-?
The CAS number of Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl- is 3818-54-0.
What is the molecular formula of Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl-?
The molecular formula of Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl- is C22H30O2S.
What is the molecular weight of Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl-?
The molecular weight of Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl- is 358.20 g/mol.
Where can I buy Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl-?
You can request a quote for Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.