Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto-
TL;DR: Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto- (CAS 53551-74-9) 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.
2,4-ditert-butyl-6-sulfanylphenol
Also Known As: 2-Mercapto-4,6-di-tert-butylphenol, Probucol Impurity 16, 2,4-ditert-butyl-6-sulfanylphenol, starbld0020617, 2,4-di-tert-butyl-6-mercaptophenol
| Molecular Formula | C14H22OS |
|---|---|
| Molecular Weight | 238.14 g/mol |
| LogP | 4.2759 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.13913 |
| Heavy Atoms | 16 |
| Complexity | 394.42197 |
Chemical Identifiers
| CAS Number | 53551-74-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)S)O)C(C)(C)C |
Product Overview
Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto- (CAS 53551-74-9), with molecular formula C14H22OS and molecular weight 238.14 g/mol. IUPAC: 2,4-ditert-butyl-6-sulfanylphenol.
Chemical Property Profile of Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto-
Property Insights of Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto-
The XLogP value of 4.2759 indicates that Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto-?
The CAS number of Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto- is 53551-74-9.
What is the molecular formula of Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto-?
The molecular formula of Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto- is C14H22OS.
What is the molecular weight of Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto-?
The molecular weight of Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto- is 238.14 g/mol.
Where can I buy Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto-?
You can request a quote for Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2,2-bis(1,1-dimethylethyl)-6-mercapto- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.