2h-1,2,4,6-Thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide
Basic information
- CAS
97514-28-8- Standard SMILES
CN1C(=O)N(c2ccccc2)S(=O)N(C(C)(C)C)C1=O- InChIKey
CFFOZESOYKGFEO-UHFFFAOYSA-N- Molecular formula
- C13H17N3O3S
- Average molar mass
- 295.36 g/mol
- Monoisotopic mass
- 295.09906259
Names & identifiers
- Preferred name
- 2h-1,2,4,6-Thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxide
- IUPAC
- 2-tert-butyl-4-methyl-1-oxo-6-phenyl-1,2,4,6-thiatriazinane-3,5-dione
Names & synonyms
97514-28-82h-1,2,4,6-thiatriazine-3,5(4h,6h)-dione, 2-(1,1-dimethylethyl)-4-methyl-6-phenyl-, 1-oxideDTXSID809138862-tert-Butyl-4-methyl-6-phenyl-1lambda~4~,2,4,6-thiatriazinane-1,3,5-trione
Database identifiers
- CAS
97514-28-8- PubChem CID
- 178963
- DTXSID
DTXSID80913886
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 80.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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