Basic information
- CAS
23274-77-3- Standard SMILES
CCCOC(=O)CC1NS(=O)(=O)c2ccccc21- InChIKey
BQZLOMNAETZBLZ-UHFFFAOYSA-N- Molecular formula
- C12H15NO4S
- Average molar mass
- 269.32 g/mol
- Monoisotopic mass
- 269.07217913
Names & identifiers
- Preferred name
- 1,2-Benzisothiazoline-3-acetic acid, propyl ester, 1,1-dioxide
- IUPAC
- propyl 2-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl)acetate
Names & synonyms
23274-77-31,2-Benzisothiazoline-3-acetic acid, propyl ester, 1,1-dioxideRefChem:1052163BRN 10048291,2-Benzisothiazole-3-acetic acid, 2,3-dihydro-, propyl ester, 1,1-dioxideDTXSID10945958Propyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate
Database identifiers
- CAS
23274-77-3- PubChem CID
- 211520
- DTXSID
DTXSID10945958
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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