![7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid structure](/static/products/372/372973-56-3.png)
7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
TL;DR: 7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid (CAS 372973-56-3) is a chemical compound with molecular formula C6H5N5O3S and molecular weight 227.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
Also Known As: 7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid, 7-(methylsulfanyl)-4-oxo-1,4-dihydro[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid, 7-(methylthio)-4-oxo-1,4-dihydro-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid, 8-methylsulfanyl-2-oxo-1,4,5,7,9-pentazabicyclo[4.3.0]nona-3,5,7-triene-3-carboxylic Acid
| Molecular Formula | C6H5N5O3S |
|---|---|
| Molecular Weight | 227.01 g/mol |
| LogP | -0.7673 |
| Topological Polar Surface Area | 113.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.0113 |
| Heavy Atoms | 15 |
| Complexity | 587.95514 |
Chemical Identifiers
| CAS Number | 372973-56-3 |
|---|---|
| SMILES | CSC1=NC2=NN=C(C(=O)N2N1)C(=O)O |
Product Overview
7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid (CAS 372973-56-3), with molecular formula C6H5N5O3S and molecular weight 227.01 g/mol. IUPAC: 7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid.
Chemical Property Profile of 7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
Property Insights of 7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
The XLogP value of -0.7673 indicates that 7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid. Following Lipinski's Rule of Five, 7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid has 2 hydrogen bond donor(s) and 6 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 7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?
The CAS number of 7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid is 372973-56-3.
What is the molecular formula of 7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?
The molecular formula of 7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid is C6H5N5O3S.
What is the molecular weight of 7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?
The molecular weight of 7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid is 227.01 g/mol.
Where can I buy 7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?
You can request a quote for 7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-methylsulfanyl-4-oxo-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.