2-(tert-Butylthio)ethanol
TL;DR: 2-(tert-Butylthio)ethanol (CAS 5396-50-9) is a chemical compound with molecular formula C6H14OS and molecular weight 134.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylsulfanylethanol
Also Known As: 2-(tert-Butylthio)ethanol, 2-tert-butylsulfanylethanol, 2-(tert-butylsulfanyl)ethan-1-ol, 2-t-butylthioethanol, 2-(tert-butylsulfanyl)ethanol
| Molecular Formula | C6H14OS |
|---|---|
| Molecular Weight | 134.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 134.07654 |
| Heavy Atoms | 8 |
| Complexity | 56.0 |
Chemical Identifiers
| CAS Number | 5396-50-9 |
|---|---|
| SMILES | CC(C)(C)SCCO |
| InChIKey | INULQKSPBVGHOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(tert-Butylthio)ethanol (CAS 5396-50-9), with molecular formula C6H14OS and molecular weight 134.08 g/mol. IUPAC: 2-tert-butylsulfanylethanol.
Chemical Property Profile of 2-(tert-Butylthio)ethanol
Property Insights of 2-(tert-Butylthio)ethanol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(tert-Butylthio)ethanol. With a topological polar surface area (TPSA) of 45.5 Ų, 2-(tert-Butylthio)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(tert-Butylthio)ethanol has 1 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-(tert-Butylthio)ethanol?
The CAS number of 2-(tert-Butylthio)ethanol is 5396-50-9.
What is the molecular formula of 2-(tert-Butylthio)ethanol?
The molecular formula of 2-(tert-Butylthio)ethanol is C6H14OS.
What is the molecular weight of 2-(tert-Butylthio)ethanol?
The molecular weight of 2-(tert-Butylthio)ethanol is 134.08 g/mol.
Where can I buy 2-(tert-Butylthio)ethanol?
You can request a quote for 2-(tert-Butylthio)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(tert-Butylthio)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-Butylthio)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.