Basic information
- CAS
101388-55-0- Standard SMILES
CCC(C)(C)N1C(=O)N(C)C(=O)N(c2ccc(Cl)cc2)S1=O- InChIKey
PJQUWOKALZYGBJ-UHFFFAOYSA-N- Molecular formula
- C14H18ClN3O3S
- Average molar mass
- 343.8 g/mol
- Monoisotopic mass
- 343.0757403
Names & identifiers
- Preferred name
- 2H-1,2,4,6-Thiatriazine-3,5(4H,6H)-dione, 2-(4-chlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxide
- IUPAC
- 2-(4-chlorophenyl)-4-methyl-6-(2-methylbutan-2-yl)-1-oxo-1,2,4,6-thiatriazinane-3,5-dione
Names & synonyms
101388-55-02H-1,2,4,6-Thiatriazine-3,5(4H,6H)-dione, 2-(4-chlorophenyl)-6-(1,1-dimethylpropyl)-4-methyl-, 1-oxideDTXSID009061142-(4-Chlorophenyl)-4-methyl-6-(2-methylbutan-2-yl)-1lambda~4~,2,4,6-thiatriazinane-1,3,5-trione
Database identifiers
- CAS
101388-55-0- PubChem CID
- 180971
- DTXSID
DTXSID00906114
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 80.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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