Basic information
- CAS
23274-76-2- Standard SMILES
CC(C)OC(=O)CC1NS(=O)(=O)c2ccccc21- InChIKey
MGVSRBMGCWVHLY-UHFFFAOYSA-N- Molecular formula
- C12H15NO4S
- Average molar mass
- 269.32 g/mol
- Monoisotopic mass
- 269.07217913
Names & identifiers
- Preferred name
- 1,2-Benzisothiazole-3-acetic acid, 2,3-dihydro-, 1-methylethyl ester,1,1-dioxide
- IUPAC
- propan-2-yl 2-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl)acetate
Names & synonyms
23274-76-21,2-Benzisothiazole-3-acetic acid, 2,3-dihydro-, 1-methylethyl ester,1,1-dioxideRefChem:1052160BRN 1004828NSC3725201,2-Benzisothiazoline-3-acetic acid, isopropyl ester, 1,1-dioxideNSC 372520NSC-372520
Database identifiers
- CAS
23274-76-2- PubChem CID
- 100202
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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