1H-2,3-Benzothiazin-4(3H)-one, 3-butyl-, 2,2-dioxide
Basic information
- CAS
21784-56-5- Standard SMILES
CCCCN1C(=O)c2ccccc2CS1(=O)=O- InChIKey
YWSIDZBIXJZMTH-UHFFFAOYSA-N- Molecular formula
- C12H15NO3S
- Average molar mass
- 253.32 g/mol
- Monoisotopic mass
- 253.07726451
Names & identifiers
- Preferred name
- 1H-2,3-Benzothiazin-4(3H)-one, 3-butyl-, 2,2-dioxide
- IUPAC
- 3-butyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one
- English name
- 8-butyl-9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.4.0]deca-1,3,5-trien-7-o ne
- Molecular formula
- C12H15NO3S
- Molecular weight
- 253.32
Names & synonyms
3-Butyl-1H-2,3-benzothiazin-4(3H)-one 2,2-dioxide21784-56-5BRN 06651151H-2,3-Benzothiazin-4(3H)-one, 3-butyl-, 2,2-dioxideDTXSID50176188RefChem:237258DTXCID60986793-butyl-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-oneAKOS0088824983-Butyl-2lambda~6~,3-benzothiazine-2,2,4(1H,3H)-trione8-butyl-9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.4.0]deca-1,3,5-trien-7-o ne
Database identifiers
- CAS
21784-56-5- PubChem CID
- 89045
- DTXSID
DTXSID50176188
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 385
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…