3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid
TL;DR: 3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid (CAS 7338-75-2) is a chemical compound with molecular formula C4H3N3O3S and molecular weight 172.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylic acid
Also Known As: 3-MERCAPTO-5-OXO-4,5-DIHYDRO-1,2,4-TRIAZINE-6-CARBOXYLIC ACID, 5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylic acid, 3-(4-Morpholino)propiophenone hydrochloride, 6-AZA-2-THIOURACIL-5-CARBOXYLIC ACID, 5-Oxo-3-sulfanyl-4,5-dihydro-1,2,4-triazine-6-carboxylic acid
| Molecular Formula | C4H3N3O3S |
|---|---|
| Molecular Weight | 172.99 g/mol |
| LogP | -0.47431 |
| Topological Polar Surface Area | 98.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.98952 |
| Heavy Atoms | 11 |
| Complexity | 392.05902 |
Chemical Identifiers
| CAS Number | 7338-75-2 |
|---|---|
| SMILES | C1(=NNC(=S)NC1=O)C(=O)O |
Product Overview
3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid (CAS 7338-75-2), with molecular formula C4H3N3O3S and molecular weight 172.99 g/mol. IUPAC: 5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylic acid.
Chemical Property Profile of 3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid
Property Insights of 3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid
The XLogP value of -0.47431 indicates that 3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid. Following Lipinski's Rule of Five, 3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid has 3 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 3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid?
The CAS number of 3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid is 7338-75-2.
What is the molecular formula of 3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid?
The molecular formula of 3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid is C4H3N3O3S.
What is the molecular weight of 3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid?
The molecular weight of 3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid is 172.99 g/mol.
Where can I buy 3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid?
You can request a quote for 3-Mercapto-5-oxo-4,5-dihydro-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 3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.