3,4-二甲氧基苯-1-硫醇
TL;DR: 3,4-二甲氧基苯-1-硫醇 (CAS 7000-46-6) is a chemical compound with molecular formula COC1=C(C=C(C=C1)S)OC and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二甲氧基苯-1-硫醇
3,4-dimethoxybenzenethiol
Also Known As: 3,4-Dimethoxythiophenol, 3,4-Dimethoxybenzenethiol, 3,4-Dimethoxy thiophenol, 3,4-dimethoxybenzene-1-thiol, 4-Mercaptoveratrole
| Molecular Formula | COC1=C(C=C(C=C1)S)OC |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 19.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.04015 |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 7000-46-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S)OC |
| InChIKey | MTKAJLNGIVXZIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二甲氧基苯-1-硫醇 (CAS 7000-46-6), with molecular formula COC1=C(C=C(C=C1)S)OC and molecular weight 170.04 g/mol. IUPAC: 3,4-dimethoxybenzenethiol.
Chemical Property Profile of 3,4-二甲氧基苯-1-硫醇
Property Insights of 3,4-二甲氧基苯-1-硫醇
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二甲氧基苯-1-硫醇. With a topological polar surface area (TPSA) of 19.5 Ų, 3,4-二甲氧基苯-1-硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二甲氧基苯-1-硫醇 has 1 hydrogen bond donor(s) and 3 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 3,4-二甲氧基苯-1-硫醇?
The CAS number of 3,4-二甲氧基苯-1-硫醇 is 7000-46-6.
What is the molecular formula of 3,4-二甲氧基苯-1-硫醇?
The molecular formula of 3,4-二甲氧基苯-1-硫醇 is COC1=C(C=C(C=C1)S)OC.
What is the molecular weight of 3,4-二甲氧基苯-1-硫醇?
The molecular weight of 3,4-二甲氧基苯-1-硫醇 is 170.04 g/mol.
Where can I buy 3,4-二甲氧基苯-1-硫醇?
You can request a quote for 3,4-二甲氧基苯-1-硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二甲氧基苯-1-硫醇?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二甲氧基苯-1-硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.