2-(Octylthio)ethanol
TL;DR: 2-(Octylthio)ethanol (CAS 3547-33-9) is a chemical compound with molecular formula C10H22OS and molecular weight 190.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octylsulfanylethanol
Also Known As: 2-(Octylthio)ethanol, R-874 phillips, MGK repellent 874, 2-octylsulfanylethanol, 2-Hydroxyethyl octyl sulfide
| Molecular Formula | C10H22OS |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 190.13913 |
| Heavy Atoms | 12 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 3547-33-9 |
|---|---|
| SMILES | CCCCCCCCSCCO |
| InChIKey | KXPXKNBDCUOENF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Octylthio)ethanol (CAS 3547-33-9), with molecular formula C10H22OS and molecular weight 190.14 g/mol. IUPAC: 2-octylsulfanylethanol.
Chemical Property Profile of 2-(Octylthio)ethanol
Property Insights of 2-(Octylthio)ethanol
The XLogP value of 3.6 indicates that 2-(Octylthio)ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, 2-(Octylthio)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Octylthio)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-(Octylthio)ethanol?
The CAS number of 2-(Octylthio)ethanol is 3547-33-9.
What is the molecular formula of 2-(Octylthio)ethanol?
The molecular formula of 2-(Octylthio)ethanol is C10H22OS.
What is the molecular weight of 2-(Octylthio)ethanol?
The molecular weight of 2-(Octylthio)ethanol is 190.14 g/mol.
Where can I buy 2-(Octylthio)ethanol?
You can request a quote for 2-(Octylthio)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Octylthio)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Octylthio)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.