5-Mercapto-6-azauracil sodium salt
TL;DR: 5-Mercapto-6-azauracil sodium salt (CAS 20029-35-0) is a chemical compound with molecular formula C3H2N3NaO2S and molecular weight 166.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3,5-dioxo-2H-1,2,4-triazine-6-thiolate
Also Known As: 5-Mercapto-6-azauracil sodium salt, 5-Mercapto-6-azauracil sodium, Sodium 3,5-dioxo-2H-1,2,4-triazine-6-thiolate, sodium (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanide, Sodium 3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-thiolate
| Molecular Formula | C3H2N3NaO2S |
|---|---|
| Molecular Weight | 166.98 g/mol |
| LogP | -4.632 |
| Topological Polar Surface Area | 78.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.97655 |
| Heavy Atoms | 10 |
| Complexity | 318.01413 |
Chemical Identifiers
| CAS Number | 20029-35-0 |
|---|---|
| SMILES | C1(=O)C(=NNC(=O)N1)[S-].[Na+] |
Product Overview
5-Mercapto-6-azauracil sodium salt (CAS 20029-35-0), with molecular formula C3H2N3NaO2S and molecular weight 166.98 g/mol. IUPAC: sodium 3,5-dioxo-2H-1,2,4-triazine-6-thiolate.
Chemical Property Profile of 5-Mercapto-6-azauracil sodium salt
Property Insights of 5-Mercapto-6-azauracil sodium salt
The XLogP value of -4.632 indicates that 5-Mercapto-6-azauracil sodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Mercapto-6-azauracil sodium salt. Following Lipinski's Rule of Five, 5-Mercapto-6-azauracil sodium salt has 2 hydrogen bond donor(s) and 4 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 5-Mercapto-6-azauracil sodium salt?
The CAS number of 5-Mercapto-6-azauracil sodium salt is 20029-35-0.
What is the molecular formula of 5-Mercapto-6-azauracil sodium salt?
The molecular formula of 5-Mercapto-6-azauracil sodium salt is C3H2N3NaO2S.
What is the molecular weight of 5-Mercapto-6-azauracil sodium salt?
The molecular weight of 5-Mercapto-6-azauracil sodium salt is 166.98 g/mol.
Where can I buy 5-Mercapto-6-azauracil sodium salt?
You can request a quote for 5-Mercapto-6-azauracil sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Mercapto-6-azauracil sodium salt?
Yes, KEHONG BIO provides custom synthesis services for 5-Mercapto-6-azauracil sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.