Basic information
- CAS
30757-70-1- Standard SMILES
CCOC(=O)n1sc2ccccc2c1=O- InChIKey
NNEGPERWJPELSP-UHFFFAOYSA-N- Molecular formula
- C10H9NO3S
- Average molar mass
- 223.25 g/mol
- Monoisotopic mass
- 223.03031432
Names & identifiers
- Preferred name
- 1,2-Benzisothiazoline-2-carboxylic acid, 3-oxo-, ethyl ester
- IUPAC
- ethyl 3-oxo-1,2-benzothiazole-2-carboxylate
Names & synonyms
30757-70-11,2-Benzisothiazoline-2-carboxylic acid, 3-oxo-, ethyl esterDTXSID20952971Ethyl 3-oxo-2,3-dihydro-1,2-benzothiazole-2-carboxylateethyl 3-oxo-1,2-benzothiazole-2(3H)-carboxylate
Database identifiers
- CAS
30757-70-1- PubChem CID
- 182010
- DTXSID
DTXSID20952971- Nikkaji
- J954.398H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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