1-氧代吡啶-1-鎓-2-硫醇钠
TL;DR: 1-氧代吡啶-1-鎓-2-硫醇钠 (CAS 3811-73-2) is a chemical compound with molecular formula C5H4NNaOS and molecular weight 148.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-氧代吡啶-1-鎓-2-硫醇钠
sodium 1-oxidopyridin-1-ium-2-thiolate
Also Known As: Sodium Omadine, 2-Mercaptopyridine N-oxide sodium salt, Sodium 1-oxidopyridine-6-thiolate, sodium;1-oxidopyridin-1-ium-2-thiolate
| Molecular Formula | C5H4NNaOS |
|---|---|
| Molecular Weight | 148.99 g/mol |
| LogP | -2.77 |
| Topological Polar Surface Area | 26.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.99113 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 3811-73-2 |
|---|---|
| SMILES | C1=CC=[N+](C(=C1)[S-])[O-].[Na+] |
| InChIKey | WNGMMIYXPIAYOB-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-氧代吡啶-1-鎓-2-硫醇钠 (CAS 3811-73-2), with molecular formula C5H4NNaOS and molecular weight 148.99 g/mol. IUPAC: sodium 1-oxidopyridin-1-ium-2-thiolate.
Chemical Property Profile of 1-氧代吡啶-1-鎓-2-硫醇钠
Property Insights of 1-氧代吡啶-1-鎓-2-硫醇钠
The XLogP value of -2.77 indicates that 1-氧代吡啶-1-鎓-2-硫醇钠 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.5 Ų, 1-氧代吡啶-1-鎓-2-硫醇钠 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-氧代吡啶-1-鎓-2-硫醇钠 has 0 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 1-氧代吡啶-1-鎓-2-硫醇钠?
The CAS number of 1-氧代吡啶-1-鎓-2-硫醇钠 is 3811-73-2.
What is the molecular formula of 1-氧代吡啶-1-鎓-2-硫醇钠?
The molecular formula of 1-氧代吡啶-1-鎓-2-硫醇钠 is C5H4NNaOS.
What is the molecular weight of 1-氧代吡啶-1-鎓-2-硫醇钠?
The molecular weight of 1-氧代吡啶-1-鎓-2-硫醇钠 is 148.99 g/mol.
Where can I buy 1-氧代吡啶-1-鎓-2-硫醇钠?
You can request a quote for 1-氧代吡啶-1-鎓-2-硫醇钠 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-氧代吡啶-1-鎓-2-硫醇钠?
Yes, KEHONG BIO provides custom synthesis services for 1-氧代吡啶-1-鎓-2-硫醇钠 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.