2-Ethylhexanethiol
TL;DR: 2-Ethylhexanethiol (CAS 7341-17-5) is a chemical compound with molecular formula C8H18S and molecular weight 146.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexane-1-thiol
Also Known As: 2-Ethylhexanethiol, 2-Ethyl-1-hexanethiol, 2-Ethylhexane-1-thiol, 1-Hexanethiol, 2-ethyl-, 2-Ethylhexylmercaptan
| Molecular Formula | C8H18S |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.11292 |
| Heavy Atoms | 9 |
| Complexity | 52.0 |
| Melting Point | -40.00 to -39.00 °C. @ 760.00 mm Hg |
| Boiling Point | 178.00 to 182.00 °C. @ 760.00 mm Hg |
| Density | 0.817-0.827 |
| Solubility | soluble in oil and alcohol |
| Refractive Index | 1.453-1.459 |
Chemical Identifiers
| CAS Number | 7341-17-5 |
|---|---|
| SMILES | CCCCC(CC)CS |
| InChIKey | UCJMHYXRQZYNNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylhexanethiol (CAS 7341-17-5), with molecular formula C8H18S and molecular weight 146.11 g/mol. IUPAC: 2-ethylhexane-1-thiol.
Chemical Property Profile of 2-Ethylhexanethiol
Property Insights of 2-Ethylhexanethiol
The XLogP value of 4.0 indicates that 2-Ethylhexanethiol 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-Ethylhexanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexanethiol 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-Ethylhexanethiol?
The CAS number of 2-Ethylhexanethiol is 7341-17-5.
What is the molecular formula of 2-Ethylhexanethiol?
The molecular formula of 2-Ethylhexanethiol is C8H18S.
What is the molecular weight of 2-Ethylhexanethiol?
The molecular weight of 2-Ethylhexanethiol is 146.11 g/mol.
Where can I buy 2-Ethylhexanethiol?
You can request a quote for 2-Ethylhexanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexanethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.