4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione
Basic information
- CAS
79602-52-1- Standard SMILES
CC(=O)N1CCS(=O)(=O)c2ccccc21- InChIKey
ABHFOFRRTFPMLL-UHFFFAOYSA-N- Molecular formula
- C10H11NO3S
- Average molar mass
- 225.27 g/mol
- Monoisotopic mass
- 225.04596439
Names & identifiers
- Preferred name
- 4-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dione
- IUPAC
- 1-(1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone
Names & synonyms
79602-52-1CHEMBL5408865NSC25625DTXSID202823664-Acetyl-3,4-dihydro-1lambda~6~,4-benzothiazine-1,1(2H)-dioneBDBM50623788NSC-25625AKOS027623939
Database identifiers
- CAS
79602-52-1- PubChem CID
- 230574
- DTXSID
DTXSID20282366- ChEMBL
CHEMBL5408865
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…