2,6-Di-tert-butyl-alpha-mercapto-p-cresol
TL;DR: 2,6-Di-tert-butyl-alpha-mercapto-p-cresol (CAS 1620-48-0) is a chemical compound with molecular formula C15H24OS and molecular weight 252.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-(sulfanylmethyl)phenol
Also Known As: 2,6-Di-tert-butyl-alpha-mercapto-p-cresol, 2,6-ditert-butyl-4-(sulfanylmethyl)phenol, 2,6-BIS(TERT-BUTYL)-4-(MERCAPTOMETHYL)PHENOL, 2,6-di-tert-butyl-4-(sulfanylmethyl)phenol, 3,5-di-t-butyl-4-hydroxybenzyl mercaptan
| Molecular Formula | C15H24OS |
|---|---|
| Molecular Weight | 252.15 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 21.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.15479 |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 1620-48-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CS |
| InChIKey | SMMZXHBQLPPFJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Di-tert-butyl-alpha-mercapto-p-cresol (CAS 1620-48-0), with molecular formula C15H24OS and molecular weight 252.15 g/mol. IUPAC: 2,6-ditert-butyl-4-(sulfanylmethyl)phenol.
Chemical Property Profile of 2,6-Di-tert-butyl-alpha-mercapto-p-cresol
Property Insights of 2,6-Di-tert-butyl-alpha-mercapto-p-cresol
The XLogP value of 5.0 indicates that 2,6-Di-tert-butyl-alpha-mercapto-p-cresol 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-alpha-mercapto-p-cresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Di-tert-butyl-alpha-mercapto-p-cresol 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 2,6-Di-tert-butyl-alpha-mercapto-p-cresol?
The CAS number of 2,6-Di-tert-butyl-alpha-mercapto-p-cresol is 1620-48-0.
What is the molecular formula of 2,6-Di-tert-butyl-alpha-mercapto-p-cresol?
The molecular formula of 2,6-Di-tert-butyl-alpha-mercapto-p-cresol is C15H24OS.
What is the molecular weight of 2,6-Di-tert-butyl-alpha-mercapto-p-cresol?
The molecular weight of 2,6-Di-tert-butyl-alpha-mercapto-p-cresol is 252.15 g/mol.
Where can I buy 2,6-Di-tert-butyl-alpha-mercapto-p-cresol?
You can request a quote for 2,6-Di-tert-butyl-alpha-mercapto-p-cresol 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-alpha-mercapto-p-cresol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Di-tert-butyl-alpha-mercapto-p-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.