1H-2,3-Benzothiazin-4(3H)-one, 3-ethyl-, 2,3-dioxide
Basic information
- CAS
21784-55-4- Standard SMILES
CCN1C(=O)c2ccccc2CS1(=O)=O- InChIKey
FEPNBMKNKFJTBE-UHFFFAOYSA-N- Molecular formula
- C10H11NO3S
- Average molar mass
- 225.27 g/mol
- Monoisotopic mass
- 225.04596439
Names & identifiers
- Preferred name
- 1H-2,3-Benzothiazin-4(3H)-one, 3-ethyl-, 2,3-dioxide
- IUPAC
- 3-ethyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one
- English name
- 8-ethyl-9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.4.0]deca-1,3,5-trien-7-o ne
- Molecular formula
- C10H11NO3S
- Molecular weight
- 225.26
Names & synonyms
3-Ethyl-1H-2,3-benzothiazin-4(3H)-one 2,2-dioxideBRN 065101921784-55-41H-2,3-Benzothiazin-4(3H)-one, 3-ethyl-, 2,3-dioxideDTXSID90176187RefChem:237259DTXCID10986783-Ethyl-2lambda~6~,3-benzothiazine-2,2,4(1H,3H)-trione8-ethyl-9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.4.0]deca-1,3,5-trien-7-o ne1H-2,3-Benzothiazin-4(3H)-one, 3-ethyl-, 2,2-dioxide
Database identifiers
- CAS
21784-55-4- PubChem CID
- 89044
- DTXSID
DTXSID90176187
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 357
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Compound notes
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