Thioguaiacol
TL;DR: Thioguaiacol (CAS 7217-59-6) is a chemical compound with molecular formula C7H8OS and molecular weight 140.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxybenzenethiol
Also Known As: 2-Methoxybenzenethiol, 2-Methoxythiophenol, Thioguaiacol, o-Methoxybenzenethiol, 2-Mercaptoanisole
| Molecular Formula | C7H8OS |
|---|---|
| Molecular Weight | 140.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 10.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.02959 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
| Boiling Point | 99.00 °C. @ 8.00 mm Hg |
| Density | 1.137-1.149 |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.589-1.595 |
Chemical Identifiers
| CAS Number | 7217-59-6 |
|---|---|
| SMILES | COC1=CC=CC=C1S |
| InChIKey | DSCJETUEDFKYGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thioguaiacol (CAS 7217-59-6), with molecular formula C7H8OS and molecular weight 140.03 g/mol. IUPAC: 2-methoxybenzenethiol.
Chemical Property Profile of Thioguaiacol
Property Insights of Thioguaiacol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thioguaiacol. With a topological polar surface area (TPSA) of 10.2 Ų, Thioguaiacol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thioguaiacol 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 Thioguaiacol?
The CAS number of Thioguaiacol is 7217-59-6.
What is the molecular formula of Thioguaiacol?
The molecular formula of Thioguaiacol is C7H8OS.
What is the molecular weight of Thioguaiacol?
The molecular weight of Thioguaiacol is 140.03 g/mol.
Where can I buy Thioguaiacol?
You can request a quote for Thioguaiacol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioguaiacol?
Yes, KEHONG BIO provides custom synthesis services for Thioguaiacol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.