2-Octanethiol
TL;DR: 2-Octanethiol (CAS 3001-66-9) 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.
octane-2-thiol
Also Known As: octane-2-thiol, 2-OCTANETHIOL, sec-Octanethiol, 2-Octylthiol, methylheptan-1-thiol
| Molecular Formula | C8H18S |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 3.9 |
| 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 |
Chemical Identifiers
| CAS Number | 3001-66-9 |
|---|---|
| SMILES | CCCCCCC(C)S |
| InChIKey | BZXFEMZFRLXGCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Octanethiol (CAS 3001-66-9), with molecular formula C8H18S and molecular weight 146.11 g/mol. IUPAC: octane-2-thiol.
Chemical Property Profile of 2-Octanethiol
Property Insights of 2-Octanethiol
The XLogP value of 3.9 indicates that 2-Octanethiol 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-Octanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octanethiol 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-Octanethiol?
The CAS number of 2-Octanethiol is 3001-66-9.
What is the molecular formula of 2-Octanethiol?
The molecular formula of 2-Octanethiol is C8H18S.
What is the molecular weight of 2-Octanethiol?
The molecular weight of 2-Octanethiol is 146.11 g/mol.
Where can I buy 2-Octanethiol?
You can request a quote for 2-Octanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octanethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-Octanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.