![4-{[(Isoquinolin-1-ylsulfanyl)acetyl]amino}benzoic acid structure](/static/products/577/577761-51-4.png)
4-{[(Isoquinolin-1-ylsulfanyl)acetyl]amino}benzoic acid
4-[(2-isoquinolin-1-ylsulfanylacetyl)amino]benzoic acid
Also Known As: 4-(2-isoquinolylthioacetylamino)benzoic acid|4-[(2-isoquinolin-1-ylsulfanylacetyl)amino]benzoic Acid|4-{[(isoquinolin-1-ylsulfanyl)acetyl]amino}benzoic acid
CAS: 577761-51-4
| Molecular Formula | C18H14N2O3S |
|---|---|
| Molecular Weight | 338.0725 g/mol |
| LogP | 3.6638 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.0725 |
| Monoisotopic Mass | 338.0725 |
| Heavy Atoms | 24 |
| Complexity | 888.9143 |
Chemical Identifiers
| CAS Number | 577761-51-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-{[(Isoquinolin-1-ylsulfanyl)acetyl]amino}benzoic acid (CAS 577761-51-4), with molecular formula C18H14N2O3S and molecular weight 338.0725 g/mol. IUPAC: 4-[(2-isoquinolin-1-ylsulfanylacetyl)amino]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 →
4-{[(Isoquinolin-1-ylsulfanyl)acetyl]amino}benzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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