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
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|I04-5830|1,2,4-triazine-6-carboxylic acid, 4,5-dihydro-3-mercapto-5|3-mercapto-5-hydroxy-1,2,4-triazine-6-carboxylic acid|5-oxo-3-sulfanyl-4H-1,2,4-triazine-6-carboxylic acid|1,2,4-triazine-6-carboxylic acid, 4,5-dihydro-3-mercapto-5-oxo-|5-oxo-3-thioxo-2H,4H-1,2,4-triazine-6-carboxylic acid|5-Oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid|3-MERCAPTO-5-OXO-4,5-DIHYDRO-1,2,4-TRIAZINE-6-CARBOXYLICACID|5-oxo-3-thioxo-2,3,4,5-tetrahydro-[1,2,4]triazine-6-carboxylic acid|5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
| Molecular Formula | C4H3N3O3S |
|---|---|
| Molecular Weight | 172.98952 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 |
| Monoisotopic 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 172.98952 g/mol. IUPAC: 5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylic acid.