1-Octanethiol
TL;DR: 1-Octanethiol (CAS 111-88-6) is a chemical compound with molecular formula C8H18S and molecular weight 146.11292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octane-1-thiol
Also Known As: 1-OCTANETHIOL, Octane-1-thiol, 1-Mercaptooctane, n-Octyl mercaptan, Octyl mercaptan
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H18S |
| Molecular Weight | 146.11292 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 146.11292 Da |
| Heavy Atoms | 9 |
| Complexity | 43.0 |
| Melting Point | -57 °F (NIOSH, 2024) |
| Boiling Point | 390 °F at 760 mmHg (NIOSH, 2024) |
| Density | 0.84 (NIOSH, 2024) - Less dense than water; will float |
| Flash Point | 115 °F (NIOSH, 2024) |
| Vapor Pressure | 3 mmHg at 212 °F (NIOSH, 2024) |
| Refractive Index | Index of refraction: 1.4540 at 20 °C/D |
| Solubility | Insoluble (NIOSH, 2024) |
| SMILES | CCCCCCCCS |
| InChIKey | KZCOBXFFBQJQHH-UHFFFAOYSA-N |
Product Description
Applications: 1-Octanethiol is used in polymer chemistry and functional materials synthesis, as well as coating, adhesive, and surface treatment formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Octanethiol (CAS 111-88-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1-Octanethiol (CAS 111-88-6) is a polymer intermediate with the molecular formula C8H18S and a molecular weight of 146.11 g/mol. Key physical properties include a density of 0.84 (NIOSH, 2024) - Less dense than water; will float g/cm³, a solubility: Insoluble (NIOSH, 2024). It is also known as 1-OCTANETHIOL and Octane-1-thiol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1-Octanethiol
Property Insights of 1-Octanethiol
The XLogP value of 4.4 indicates that 1-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, 1-Octanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-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
What is the CAS number of 1-Octanethiol?
The CAS number of 1-Octanethiol is 111-88-6.
What is the molecular formula of 1-Octanethiol?
The molecular formula of 1-Octanethiol is C8H18S.
What is the molecular weight of 1-Octanethiol?
The molecular weight of 1-Octanethiol is 146.11292 g/mol.
What are the applications of 1-Octanethiol?
1-Octanethiol is used in polymer chemistry and functional materials synthesis, as well as coating, adhesive, and surface treatment formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Octanethiol (CAS 111-88-6) with custom synthesis available...
Where can I buy 1-Octanethiol?
You can request a quote for 1-Octanethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Octanethiol?
Yes, CoreyChem provides custom synthesis services for 1-Octanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.