2,4-Di-tert-butylthiophenol
TL;DR: 2,4-Di-tert-butylthiophenol (CAS 19728-43-9) is a chemical compound with molecular formula C14H22S and molecular weight 222.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-ditert-butylbenzenethiol
Also Known As: 2,4-Di-tert-butylthiophenol, 2,4-Ditert-butylbenzenethiol, 2,4-di-t-butylthiophenol, 2,4-di-tert-butylbenzene-1-thiol, 2,4-Di(tert-butyl)benzenethiol
| Molecular Formula | C14H22S |
|---|---|
| Molecular Weight | 222.14 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.14423 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 19728-43-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)S)C(C)(C)C |
| InChIKey | ACJAQOIIEMFTGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Di-tert-butylthiophenol (CAS 19728-43-9), with molecular formula C14H22S and molecular weight 222.14 g/mol. IUPAC: 2,4-ditert-butylbenzenethiol.
Chemical Property Profile of 2,4-Di-tert-butylthiophenol
Property Insights of 2,4-Di-tert-butylthiophenol
The XLogP value of 5.4 indicates that 2,4-Di-tert-butylthiophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 2,4-Di-tert-butylthiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Di-tert-butylthiophenol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-Di-tert-butylthiophenol?
The CAS number of 2,4-Di-tert-butylthiophenol is 19728-43-9.
What is the molecular formula of 2,4-Di-tert-butylthiophenol?
The molecular formula of 2,4-Di-tert-butylthiophenol is C14H22S.
What is the molecular weight of 2,4-Di-tert-butylthiophenol?
The molecular weight of 2,4-Di-tert-butylthiophenol is 222.14 g/mol.
Where can I buy 2,4-Di-tert-butylthiophenol?
You can request a quote for 2,4-Di-tert-butylthiophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Di-tert-butylthiophenol?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Di-tert-butylthiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.