2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide
TL;DR: 2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide (CAS 496879-23-3) is a chemical compound with molecular formula C8H11NO4S and molecular weight 217.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-3,4,5-trimethoxypyridine-2-thione
Also Known As: 2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide, 1-hydroxy-3,4,5-trimethoxypyridine-2-thione, 1-hydroxy-3,4,5-trimethoxy-pyridine-2-thione, 2-Pyridinethiol, 3,4,5-trimethoxy-, 1-oxide, 1-Hydroxy-3,4,5-trimethoxypyridine-2(1H)-thione
| Molecular Formula | C8H11NO4S |
|---|---|
| Molecular Weight | 217.04 g/mol |
| LogP | 1.48069 |
| Topological Polar Surface Area | 52.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.04088 |
| Heavy Atoms | 14 |
| Complexity | 387.66306 |
Chemical Identifiers
| CAS Number | 496879-23-3 |
|---|---|
| SMILES | COC1=CN(C(=S)C(=C1OC)OC)O |
Product Overview
2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide (CAS 496879-23-3), with molecular formula C8H11NO4S and molecular weight 217.04 g/mol. IUPAC: 1-hydroxy-3,4,5-trimethoxypyridine-2-thione.
Chemical Property Profile of 2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide
Property Insights of 2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide
The XLogP value of 1.48069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide. With a topological polar surface area (TPSA) of 52.85 Ų, 2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide has 1 hydrogen bond donor(s) and 5 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 2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide?
The CAS number of 2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide is 496879-23-3.
What is the molecular formula of 2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide?
The molecular formula of 2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide is C8H11NO4S.
What is the molecular weight of 2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide?
The molecular weight of 2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide is 217.04 g/mol.
Where can I buy 2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide?
You can request a quote for 2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyridinethiol,3,4,5-trimethoxy-,1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.