Basic information
- Standard SMILES
C=CCNC(=O)n1sc2ccccc2c1=O- InChIKey
QTADUAYBQQBCHC-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2S
- Average molar mass
- 234.28 g/mol
- Monoisotopic mass
- 234.04629874
Names & identifiers
- Preferred name
- 3-Oxo-3H-benzo[d]isothiazole-2-carboxylic acid allylamide
- IUPAC
- 3-oxo-N-prop-2-enyl-1,2-benzothiazole-2-carboxamide
Names & synonyms
SCHEMBL3862528QTADUAYBQQBCHC-UHFFFAOYSA-N3-Oxo-3H-benzo[d]isothiazole-2-carboxylic acid allylamide
Database identifiers
- PubChem CID
- 11310862
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 319
Related reactions
2 records
Compound notes
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