Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate
2-[(E)-(aminocarbamothioylhydrazinylidene)methyl]quinoline-4-carboxylic acid
Also Known As: 2-Formylcinchoninic acid 3-thiocarbazone hydrate|Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate|4-Quinolinecarboxylic acid, 2-(((hydrazinothioxomethyl)hydrazono)methyl)-, monohydrate
CAS: 62604-48-2
| Molecular Formula | C12H11N5O2S |
|---|---|
| Molecular Weight | 289.06335 g/mol |
| LogP | 0.6047 |
| Topological Polar Surface Area | 112.63 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.06335 |
| Monoisotopic Mass | 289.06335 |
| Heavy Atoms | 20 |
| Complexity | 701.3072 |
Chemical Identifiers
| CAS Number | 62604-48-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=N2)/C=N/NC(=S)NN)C(=O)O |
Product Overview
Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate (CAS 62604-48-2), with molecular formula C12H11N5O2S and molecular weight 289.06335 g/mol. IUPAC: 2-[(E)-(aminocarbamothioylhydrazinylidene)methyl]quinoline-4-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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