Ethyl 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)pentanoate
ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoate
Also Known As: NCIOpen2_007529|ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoate|Ethyl 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)pentanoate|1,2-Benzisothiazole-2(3H)-aceticacid, 3-oxo-a-propyl-,ethyl ester, 1,1-dioxide
CAS: 7501-66-8
| Molecular Formula | C14H17NO5S |
|---|---|
| Molecular Weight | 311.08273 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.08273 |
| Monoisotopic Mass | 311.08273 |
| Heavy Atoms | 21 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 7501-66-8 |
|---|---|
| SMILES | CCCC(C(=O)OCC)N1C(=O)C2=CC=CC=C2S1(=O)=O |
| InChIKey | ZBLWBROJIZFBDD-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)pentanoate (CAS 7501-66-8), with molecular formula C14H17NO5S and molecular weight 311.08273 g/mol. IUPAC: ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoate.
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.
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Ethyl 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)pentanoate is a custom synthesis product. We offer services from milligram to kilogram scale.
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