Basic information
- CAS
80838-96-6- Standard SMILES
CC(=O)C1=CN(C)c2ccccc2[S@@]1=O- InChIKey
DJZLTEWZKAOFNE-HNNXBMFYSA-N- Molecular formula
- C11H11NO2S
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.05104977
Names & identifiers
- Preferred name
- 1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone
- IUPAC
- 1-[(1S)-4-methyl-1-oxo-1λ4,4-benzothiazin-2-yl]ethanone
Names & synonyms
NSC35713980838-96-6DTXSID70320282NSC-3571392-Acetyl-4-methyl-1lambda~4~,4-benzothiazin-1(4H)-one
Database identifiers
- CAS
80838-96-6- PubChem CID
- 337802
- DTXSID
DTXSID70320282
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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