Basic information
- CAS
62054-41-5- Standard SMILES
CC1NS(=O)(=O)c2ccccc2C1=O- InChIKey
OGTAEPOXTPKGFF-UHFFFAOYSA-N- Molecular formula
- C9H9NO3S
- Average molar mass
- 211.24 g/mol
- Monoisotopic mass
- 211.03031432
Names & identifiers
- Preferred name
- 3-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione
- IUPAC
- 3-methyl-1,1-dioxo-2,3-dihydro-1λ6,2-benzothiazin-4-one
Names & synonyms
62054-41-5NSC264718SCHEMBL14427501DTXSID703129453-Methyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trioneNSC-264718
Database identifiers
- CAS
62054-41-5- PubChem CID
- 319702
- DTXSID
DTXSID70312945
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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