4,4'-Thiobis(2-tert-butyl-6-methylphenol)
TL;DR: 4,4'-Thiobis(2-tert-butyl-6-methylphenol) (CAS 96-66-2) 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.
2-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methylphenyl)sulfanyl-6-methylphenol
Also Known As: Tioalkofen BM, Antioxidant 736, Thioalkofen BM, Antioxidant E 736, Ethyl 736
| 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 | 96-66-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C(C)(C)C)SC2=CC(=C(C(=C2)C)O)C(C)(C)C |
| InChIKey | YFHKLSPMRRWLKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Thiobis(2-tert-butyl-6-methylphenol) (CAS 96-66-2), with molecular formula C22H30O2S and molecular weight 358.20 g/mol. IUPAC: 2-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methylphenyl)sulfanyl-6-methylphenol.
Chemical Property Profile of 4,4'-Thiobis(2-tert-butyl-6-methylphenol)
Property Insights of 4,4'-Thiobis(2-tert-butyl-6-methylphenol)
The XLogP value of 7.4 indicates that 4,4'-Thiobis(2-tert-butyl-6-methylphenol) 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 4,4'-Thiobis(2-tert-butyl-6-methylphenol). Following Lipinski's Rule of Five, 4,4'-Thiobis(2-tert-butyl-6-methylphenol) 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 4,4'-Thiobis(2-tert-butyl-6-methylphenol)?
The CAS number of 4,4'-Thiobis(2-tert-butyl-6-methylphenol) is 96-66-2.
What is the molecular formula of 4,4'-Thiobis(2-tert-butyl-6-methylphenol)?
The molecular formula of 4,4'-Thiobis(2-tert-butyl-6-methylphenol) is C22H30O2S.
What is the molecular weight of 4,4'-Thiobis(2-tert-butyl-6-methylphenol)?
The molecular weight of 4,4'-Thiobis(2-tert-butyl-6-methylphenol) is 358.20 g/mol.
Where can I buy 4,4'-Thiobis(2-tert-butyl-6-methylphenol)?
You can request a quote for 4,4'-Thiobis(2-tert-butyl-6-methylphenol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Thiobis(2-tert-butyl-6-methylphenol)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Thiobis(2-tert-butyl-6-methylphenol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.