4-Methoxybenzenethiol
TL;DR: 4-Methoxybenzenethiol (CAS 696-63-9) 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.
4-methoxybenzenethiol
Also Known As: 4-Methoxythiophenol, 4-Methoxybenzenethiol, p-Methoxybenzenethiol, Benzenethiol, 4-methoxy-, 4-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 | 77.0 |
Chemical Identifiers
| CAS Number | 696-63-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S |
| InChIKey | NIFAOMSJMGEFTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxybenzenethiol (CAS 696-63-9), with molecular formula C7H8OS and molecular weight 140.03 g/mol. IUPAC: 4-methoxybenzenethiol.
Chemical Property Profile of 4-Methoxybenzenethiol
Property Insights of 4-Methoxybenzenethiol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxybenzenethiol. With a topological polar surface area (TPSA) of 10.2 Ų, 4-Methoxybenzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxybenzenethiol 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 4-Methoxybenzenethiol?
The CAS number of 4-Methoxybenzenethiol is 696-63-9.
What is the molecular formula of 4-Methoxybenzenethiol?
The molecular formula of 4-Methoxybenzenethiol is C7H8OS.
What is the molecular weight of 4-Methoxybenzenethiol?
The molecular weight of 4-Methoxybenzenethiol is 140.03 g/mol.
Where can I buy 4-Methoxybenzenethiol?
You can request a quote for 4-Methoxybenzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxybenzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxybenzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.