3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide
Basic information
- CAS
77085-33-7- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)[S@@](=O)c1nc([N+](=O)[O-])cnc1N2- InChIKey
PADQAUGDLBXWOT-OAQYLSRUSA-N- Molecular formula
- C10H5N5O5S
- Average molar mass
- 307.24 g/mol
- Monoisotopic mass
- 307.00113945
Names & identifiers
- Preferred name
- 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide
- IUPAC
- (5R)-3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide
Names & synonyms
3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxideNSC35230777085-33-7DTXSID90402039NSC-3523073,7-Dinitro-5lambda~4~-pyrazino[2,3-b][1,4]benzothiazin-5(10H)-one
Database identifiers
- CAS
77085-33-7- PubChem CID
- 4334987
- DTXSID
DTXSID90402039
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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