![3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5324/532415-68-2.webp)
3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid
3-[(4-hexoxybenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3-[(4-hexoxybenzoyl)carbamothioylamino]benzoic acid|3-[(4-hexoxybenzoyl)thiocarbamoylamino]benzoic Acid|3-[[[[4-(Hexyloxy)benzoyl ]amino]thioxomethyl ]amino]-benzoic acid|3-[[[[4-(hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid
CAS: 532415-68-2
| Molecular Formula | C21H24N2O4S |
|---|---|
| Molecular Weight | 400.1457 g/mol |
| LogP | 4.4707 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 400.1457 |
| Monoisotopic Mass | 400.1457 |
| Heavy Atoms | 28 |
| Complexity | 821.4102 |
Chemical Identifiers
| CAS Number | 532415-68-2 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid (CAS 532415-68-2), with molecular formula C21H24N2O4S and molecular weight 400.1457 g/mol. IUPAC: 3-[(4-hexoxybenzoyl)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-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »