1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxide
Basic information
- CAS
27148-07-8- Standard SMILES
CCCN1C(=O)c2ccccc2S1(=O)=O- InChIKey
ZQAJMKNVQVOICB-UHFFFAOYSA-N- Molecular formula
- C10H11NO3S
- Average molar mass
- 225.27 g/mol
- Monoisotopic mass
- 225.04596439
Names & identifiers
- Preferred name
- 1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxide
- IUPAC
- 1,1-dioxo-2-propyl-1,2-benzothiazol-3-one
- English name
- 2-Propyl-3-oxo-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide
- Molecular formula
- C10H11NO3S
- Molecular weight
- 225.26
Names & synonyms
N-Propylsaccharin27148-07-81,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxideCHEMBL4072571N-Propyl saccharinSCHEMBL6984071,2-Benzisothiazolin-3-one, 2-propyl-, 1,1-dioxideDTXSID00345822ZQAJMKNVQVOICB-UHFFFAOYSA-NBDBM50242147EBC-08645STL293365
Show more names
1,1-dioxo-2-propyl-1,2-benzothiazol-3-one2-Propyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide2-Propyl-3-oxo-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide
AKOS001296388EN300-268669102-propyl-1,2-benzothiazol-3(2H)-one 1,1-dioxideZ538377362-Propyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide #2-Propyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione2-propyl-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
Database identifiers
- CAS
27148-07-8- PubChem CID
- 607305
- DTXSID
DTXSID00345822- ChEMBL
CHEMBL4072571
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Melting point
- 73 · 73-75 °C
- Boiling point
- 382.7 · 382.7±25.0 °C(Predicted)
- Density
- 1.35 · 1.350±0.06 g/cm3(Predicted)
- pka
- -12.83 · -12.83±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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