![6-Mercapto-1H-benz[de]isoquinoline-1,3(2H)-dione structure](/static/products/7811/781-18-0.webp)
6-Mercapto-1H-benz[de]isoquinoline-1,3(2H)-dione
6-sulfanylbenzo[de]isoquinoline-1,3-dione
Also Known As: 6-sulfanylbenzo[de]isoquinoline-1,3-dione|6-Mercapto-1H-benz(de)isoquinoline-1,3(2H)-dione|6-Mercapto-1H-benz[de]isoquinoline-1,3(2H)-dione|6-Sulfanyl-1H-benzo[de]isoquinoline-1,3(2H)-dione
CAS: 781-18-0
| Molecular Formula | C12H7NO2S |
|---|---|
| Molecular Weight | 229.01974 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 47.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.01974 |
| Monoisotopic Mass | 229.01974 |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 781-18-0 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)S |
| InChIKey | LDZKHMPZEWJCSJ-UHFFFAOYSA-N |
Product Overview
6-Mercapto-1H-benz[de]isoquinoline-1,3(2H)-dione (CAS 781-18-0), with molecular formula C12H7NO2S and molecular weight 229.01974 g/mol. IUPAC: 6-sulfanylbenzo[de]isoquinoline-1,3-dione.
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 →
6-Mercapto-1H-benz[de]isoquinoline-1,3(2H)-dione is a custom synthesis product. We offer services from milligram to kilogram scale.
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