1-Undecanethiol
TL;DR: 1-Undecanethiol (CAS 5332-52-5) is a chemical compound with molecular formula C11H24S and molecular weight 188.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
undecane-1-thiol
Also Known As: 1-undecanethiol, undecane-1-thiol, Undecyl mercaptan, 1-mercaptoundecane, undecylmercaptan
| Molecular Formula | C11H24S |
|---|---|
| Molecular Weight | 188.16 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 188.15987 |
| Heavy Atoms | 12 |
| Complexity | 71.0 |
| Melting Point | -2.8 °C |
| Boiling Point | 257.2 °C at 760 mmHg |
| Density | 0.84 - Less dense than water; will float |
| Solubility | Insoluble (NIOSH, 2024) |
| Flash Point | 109 °C |
Chemical Identifiers
| CAS Number | 5332-52-5 |
|---|---|
| SMILES | CCCCCCCCCCCS |
| InChIKey | CCIDWXHLGNEQSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Undecanethiol (CAS 5332-52-5), with molecular formula C11H24S and molecular weight 188.16 g/mol. IUPAC: undecane-1-thiol.
Chemical Property Profile of 1-Undecanethiol
Property Insights of 1-Undecanethiol
The XLogP value of 5.6 indicates that 1-Undecanethiol 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-Undecanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Undecanethiol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Undecanethiol?
The CAS number of 1-Undecanethiol is 5332-52-5.
What is the molecular formula of 1-Undecanethiol?
The molecular formula of 1-Undecanethiol is C11H24S.
What is the molecular weight of 1-Undecanethiol?
The molecular weight of 1-Undecanethiol is 188.16 g/mol.
Where can I buy 1-Undecanethiol?
You can request a quote for 1-Undecanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Undecanethiol?
Yes, KEHONG BIO provides custom synthesis services for 1-Undecanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.