2H-1,2,4,6-Thiatriazin-3(4H)-one, 2-ethyl-5-methoxy-, 1,1-dioxide
Basic information
- CAS
78384-28-8- Standard SMILES
CCN1C(=O)NC(OC)=NS1(=O)=O- InChIKey
LIMYQLHZQIVRFD-UHFFFAOYSA-N- Molecular formula
- C5H9N3O4S
- Average molar mass
- 207.21 g/mol
- Monoisotopic mass
- 207.03137695
Names & identifiers
- Preferred name
- 2H-1,2,4,6-Thiatriazin-3(4H)-one, 2-ethyl-5-methoxy-, 1,1-dioxide
- IUPAC
- 2-ethyl-5-methoxy-1,1-dioxo-4H-1,2,4,6-thiatriazin-3-one
Names & synonyms
2H-1,2,4,6-Thiatriazin-3(4H)-one, 2-ethyl-5-methoxy-, 1,1-dioxide78384-28-8SCHEMBL11182839SCHEMBL11182841DTXSID80229055LIMYQLHZQIVRFD-UHFFFAOYSA-N6-ethyl-3-methoxy-6H-1,2,4,6-thiatriazin-5-one-1,1-dioxide2-Ethyl-5-methoxy-1lambda~6~,2,4,6-thiatriazine-1,1,3(2H,4H)-trione
Database identifiers
- CAS
78384-28-8- PubChem CID
- 157202
- DTXSID
DTXSID80229055
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 341
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Compound notes
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