2-Tert-butylthiophenol
TL;DR: 2-Tert-butylthiophenol (CAS 53584-22-8) is a chemical compound with molecular formula C10H14S and molecular weight 166.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylbenzenethiol
Also Known As: 2-tert-butylbenzenethiol, 2-TERT-BUTYLTHIOPHENOL, 2-(tert-Butyl)benzenethiol, tert-Butylbenzenethiol, 2-tert-butylbenzene-1-thiol
| Molecular Formula | C10H14S |
|---|---|
| Molecular Weight | 166.08 g/mol |
| LogP | 3.2728 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.08162 |
| Heavy Atoms | 11 |
| Complexity | 245.29485 |
Chemical Identifiers
| CAS Number | 53584-22-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1S |
Product Overview
2-Tert-butylthiophenol (CAS 53584-22-8), with molecular formula C10H14S and molecular weight 166.08 g/mol. IUPAC: 2-tert-butylbenzenethiol.
Chemical Property Profile of 2-Tert-butylthiophenol
Property Insights of 2-Tert-butylthiophenol
The XLogP value of 3.2728 indicates that 2-Tert-butylthiophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Tert-butylthiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tert-butylthiophenol has 1 hydrogen bond donor(s) and 1 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-Tert-butylthiophenol?
The CAS number of 2-Tert-butylthiophenol is 53584-22-8.
What is the molecular formula of 2-Tert-butylthiophenol?
The molecular formula of 2-Tert-butylthiophenol is C10H14S.
What is the molecular weight of 2-Tert-butylthiophenol?
The molecular weight of 2-Tert-butylthiophenol is 166.08 g/mol.
Where can I buy 2-Tert-butylthiophenol?
You can request a quote for 2-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-Tert-butylthiophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butylthiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.