2-Methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid
TL;DR: 2-Methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid (CAS 6945-55-7) is a chemical compound with molecular formula C5H5N3O3S and molecular weight 187.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid
Also Known As: 2-methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid, 2-methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic a, 2-Methyl-5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
| Molecular Formula | C5H5N3O3S |
|---|---|
| Molecular Weight | 187.01 g/mol |
| LogP | -0.46391 |
| Topological Polar Surface Area | 87.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.00516 |
| Heavy Atoms | 12 |
| Complexity | 432.29996 |
Chemical Identifiers
| CAS Number | 6945-55-7 |
|---|---|
| SMILES | CN1C(=S)NC(=O)C(=N1)C(=O)O |
Product Overview
2-Methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid (CAS 6945-55-7), with molecular formula C5H5N3O3S and molecular weight 187.01 g/mol. IUPAC: 2-methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid.
Chemical Property Profile of 2-Methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid
Property Insights of 2-Methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid
The XLogP value of -0.46391 indicates that 2-Methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid. Following Lipinski's Rule of Five, 2-Methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid 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 2-Methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid?
The CAS number of 2-Methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid is 6945-55-7.
What is the molecular formula of 2-Methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid?
The molecular formula of 2-Methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid is C5H5N3O3S.
What is the molecular weight of 2-Methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid?
The molecular weight of 2-Methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid is 187.01 g/mol.
Where can I buy 2-Methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid?
You can request a quote for 2-Methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.