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Basic information
- Standard SMILES
CC(C)(C)OC(=O)CN1C(=O)c2ccccc2S1(=O)=O- InChIKey
DMEBBWKNQGJMGE-UHFFFAOYSA-N- Molecular formula
- C13H15NO5S
- Average molar mass
- 297.33 g/mol
- Monoisotopic mass
- 297.06709375
Names & identifiers
- Preferred name
- Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate
- IUPAC
- tert-butyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate
Names & synonyms
66366-27-6TERT-BUTYL 2-(1,1-DIOXIDO-3-OXOBENZO[D]ISOTHIAZOL-2(3H)-YL)ACETATETimTec1_007709tert-butyl N-saccharinylacetateDMEBBWKNQGJMGE-UHFFFAOYSA-NHMS1555O09STK110977AKOS000597838IDI1_033363G61722tert-butyl (1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetateTERT-BUTYL 2-(1,1,3-TRIOXO-1,3-DIHYDRO-2H-1,2-BENZISOTHIAZOL-2-YL)ACETATE
Database identifiers
- PubChem CID
- 975263
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 514
Related reactions
3 records
Compound notes
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