N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester
cyanomethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetate
Also Known As: N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester|cyanomethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetate|Cyanomethyl N-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-N-methylglycinate
CAS: 875159-81-2
| Molecular Formula | C12H11N3O4S |
|---|---|
| Molecular Weight | 293.04703 g/mol |
| LogP | 0.13408 |
| Topological Polar Surface Area | 99.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.04703 |
| Monoisotopic Mass | 293.04703 |
| Heavy Atoms | 20 |
| Complexity | 718.46313 |
Chemical Identifiers
| CAS Number | 875159-81-2 |
|---|---|
| SMILES | CN(CC(=O)OCC#N)C1=NS(=O)(=O)C2=CC=CC=C21 |
Product Overview
N-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-N-methylglycine cyanomethyl ester (CAS 875159-81-2), with molecular formula C12H11N3O4S and molecular weight 293.04703 g/mol. IUPAC: cyanomethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetate.
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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