1,2-Benzisothiazol-3(2h)-one, 2-ethyl-, 1,1-dioxide
Basic information
- CAS
18712-20-4- Standard SMILES
CCN1C(=O)c2ccccc2S1(=O)=O- InChIKey
DQKSIWDBRCCINU-UHFFFAOYSA-N- Molecular formula
- C9H9NO3S
- Average molar mass
- 211.24 g/mol
- Monoisotopic mass
- 211.03031432
Names & identifiers
- Preferred name
- 1,2-Benzisothiazol-3(2h)-one, 2-ethyl-, 1,1-dioxide
- IUPAC
- 2-ethyl-1,1-dioxo-1,2-benzothiazol-3-one
Names & synonyms
18712-20-41,2-benzisothiazol-3(2h)-one, 2-ethyl-, 1,1-dioxideDTXSID80284806RefChem:1052157DTXCID60235957CHEMBL40916862-ethyl-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trioneN-Ethylsaccharin2-ethyl-1,1-dioxo-1,2-benzothiazol-3-oneN-ethyl saccharineNSC39121CBMicro_017023
Show more names
SCHEMBL11018961,2-Benzisothiazol-3(2H)-one,2-ethyl-, 1,1-dioxideSCHEMBL30834902CCG-5934BDBM50242152EBC-07357NSC-39121STK050920
Database identifiers
- CAS
18712-20-4- PubChem CID
- 236541
- DTXSID
DTXSID80284806- ChEMBL
CHEMBL4091686
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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