3,4-Dimethoxybenzene-1-thiolate
TL;DR: 3,4-Dimethoxybenzene-1-thiolate (CAS 19689-66-8) is a chemical compound with molecular formula C8H9O2S- and molecular weight 169.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxybenzenethiolate
Also Known As: 3,4-dimethoxybenzenethiolate, 3,4-Dimethoxybenzene-1-thiolate
| Molecular Formula | C8H9O2S- |
|---|---|
| Molecular Weight | 169.03 g/mol |
| LogP | 1.6096 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.03232 |
| Heavy Atoms | 11 |
| Complexity | 247.84741 |
Chemical Identifiers
| CAS Number | 19689-66-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[S-])OC |
Product Overview
3,4-Dimethoxybenzene-1-thiolate (CAS 19689-66-8), with molecular formula C8H9O2S- and molecular weight 169.03 g/mol. IUPAC: 3,4-dimethoxybenzenethiolate.
Chemical Property Profile of 3,4-Dimethoxybenzene-1-thiolate
Property Insights of 3,4-Dimethoxybenzene-1-thiolate
The XLogP value of 1.6096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethoxybenzene-1-thiolate. With a topological polar surface area (TPSA) of 18.46 Ų, 3,4-Dimethoxybenzene-1-thiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethoxybenzene-1-thiolate has 0 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-Dimethoxybenzene-1-thiolate?
The CAS number of 3,4-Dimethoxybenzene-1-thiolate is 19689-66-8.
What is the molecular formula of 3,4-Dimethoxybenzene-1-thiolate?
The molecular formula of 3,4-Dimethoxybenzene-1-thiolate is C8H9O2S-.
What is the molecular weight of 3,4-Dimethoxybenzene-1-thiolate?
The molecular weight of 3,4-Dimethoxybenzene-1-thiolate is 169.03 g/mol.
Where can I buy 3,4-Dimethoxybenzene-1-thiolate?
You can request a quote for 3,4-Dimethoxybenzene-1-thiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethoxybenzene-1-thiolate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethoxybenzene-1-thiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.