![[3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate structure](/static/products/7206/720671-77-2.webp)
[3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate
[3-(1,3-dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate
Also Known As: AB131|AB-131/42301743|[3-(1,3-dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate|{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanyl}methyl benzoate
CAS: 720671-77-2
| Molecular Formula | C21H19NO6S |
|---|---|
| Molecular Weight | 413.09332 g/mol |
| LogP | 2.762 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.09332 |
| Monoisotopic Mass | 413.09332 |
| Heavy Atoms | 29 |
| Complexity | 894.7784 |
Chemical Identifiers
| CAS Number | 720671-77-2 |
|---|---|
| SMILES | COC(=O)C(CCSCOC(=O)C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
[3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate (CAS 720671-77-2), with molecular formula C21H19NO6S and molecular weight 413.09332 g/mol. IUPAC: [3-(1,3-dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate.
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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