![3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5315/531544-41-9.webp)
3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid
3,5-diiodo-2-[(3-nitrobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3,5-diiodo-2-[(3-nitrobenzoyl)carbamothioylamino]benzoic acid|3,5-diiodo-2-[(3-nitrobenzoyl)thiocarbamoylamino]benzoic Acid|3,5-DIIODO-2-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID|3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl ]amino]-benzoic acid
CAS: 531544-41-9
| Molecular Formula | C15H9I2N3O5S |
|---|---|
| Molecular Weight | 596.83527 g/mol |
| LogP | 3.629 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 596.83527 |
| Monoisotopic Mass | 596.83527 |
| Heavy Atoms | 26 |
| Complexity | 935.49304 |
Chemical Identifiers
| CAS Number | 531544-41-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=C(C=C2I)I)C(=O)O |
Product Overview
3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid (CAS 531544-41-9), with molecular formula C15H9I2N3O5S and molecular weight 596.83527 g/mol. IUPAC: 3,5-diiodo-2-[(3-nitrobenzoyl)carbamothioylamino]benzoic 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 →
3,5-Diiodo-2-[[[(3-nitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »