2-(Decylthio)ethanol
TL;DR: 2-(Decylthio)ethanol (CAS 41891-88-7) is a chemical compound with molecular formula C12H26OS and molecular weight 218.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-decylsulfanylethanol
Also Known As: 2-Decylthioethanol, 2-(Decylthio)ethanol, 2-Decylthio-ethanol, Ethanol, 2-decylthio-, 2-(decylthio)ethan-1-ol
| Molecular Formula | C12H26OS |
|---|---|
| Molecular Weight | 218.17 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 218.17044 |
| Heavy Atoms | 14 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 41891-88-7 |
|---|---|
| SMILES | CCCCCCCCCCSCCO |
| InChIKey | MWVYOMQTCFCPHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Decylthio)ethanol (CAS 41891-88-7), with molecular formula C12H26OS and molecular weight 218.17 g/mol. IUPAC: 2-decylsulfanylethanol.
Chemical Property Profile of 2-(Decylthio)ethanol
Property Insights of 2-(Decylthio)ethanol
The XLogP value of 4.7 indicates that 2-(Decylthio)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-(Decylthio)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Decylthio)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-(Decylthio)ethanol?
The CAS number of 2-(Decylthio)ethanol is 41891-88-7.
What is the molecular formula of 2-(Decylthio)ethanol?
The molecular formula of 2-(Decylthio)ethanol is C12H26OS.
What is the molecular weight of 2-(Decylthio)ethanol?
The molecular weight of 2-(Decylthio)ethanol is 218.17 g/mol.
Where can I buy 2-(Decylthio)ethanol?
You can request a quote for 2-(Decylthio)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Decylthio)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Decylthio)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.