2,6-Di-tert-butyl-4-mercaptophenol
TL;DR: 2,6-Di-tert-butyl-4-mercaptophenol (CAS 950-59-4) is a chemical compound with molecular formula C14H22OS and molecular weight 238.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-sulfanylphenol
Also Known As: 2,6-Di-tert-butyl-4-mercaptophenol, Probucol Impurity 1, Probucol Impurity 3, 2,6-di-tert-butyl-4-sulfanylphenol, 2,6-ditert-butyl-4-sulfanylphenol
| Molecular Formula | C14H22OS |
|---|---|
| Molecular Weight | 238.14 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 21.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.13913 |
| Heavy Atoms | 16 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 950-59-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S |
| InChIKey | NFVMNXZFSKGLDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Di-tert-butyl-4-mercaptophenol (CAS 950-59-4), with molecular formula C14H22OS and molecular weight 238.14 g/mol. IUPAC: 2,6-ditert-butyl-4-sulfanylphenol.
Chemical Property Profile of 2,6-Di-tert-butyl-4-mercaptophenol
Property Insights of 2,6-Di-tert-butyl-4-mercaptophenol
The XLogP value of 5.1 indicates that 2,6-Di-tert-butyl-4-mercaptophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.2 Ų, 2,6-Di-tert-butyl-4-mercaptophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Di-tert-butyl-4-mercaptophenol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Di-tert-butyl-4-mercaptophenol?
The CAS number of 2,6-Di-tert-butyl-4-mercaptophenol is 950-59-4.
What is the molecular formula of 2,6-Di-tert-butyl-4-mercaptophenol?
The molecular formula of 2,6-Di-tert-butyl-4-mercaptophenol is C14H22OS.
What is the molecular weight of 2,6-Di-tert-butyl-4-mercaptophenol?
The molecular weight of 2,6-Di-tert-butyl-4-mercaptophenol is 238.14 g/mol.
Where can I buy 2,6-Di-tert-butyl-4-mercaptophenol?
You can request a quote for 2,6-Di-tert-butyl-4-mercaptophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Di-tert-butyl-4-mercaptophenol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Di-tert-butyl-4-mercaptophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.