Basic information
- CAS
63479-77-6- Standard SMILES
NC1=NS(=O)(=O)N=C(N)C1=NNc1ccc([N+](=O)[O-])cc1- InChIKey
XSODCSOZGZAOGS-UHFFFAOYSA-N- Molecular formula
- C9H9N7O4S
- Average molar mass
- 311.28 g/mol
- Monoisotopic mass
- 311.04367297
Names & identifiers
- Preferred name
- SB8D98P2EA
- IUPAC
- 4-[(4-nitrophenyl)hydrazinylidene]-1,1-dioxo-1,2,6-thiadiazine-3,5-diamine
Names & synonyms
NSC-295419SB8D98P2EA2H-1,2,6-Thiadiazine-3,5-diamine, 4-[(4-nitrophenyl)azo]-, 1,1-dioxide3,5-diamino-4-[(1E)-2-(4-nitrophenyl)diazen-1-yl]-2H-1lambda6,2,6-thiadiazine-1,1-dione
Database identifiers
- CAS
63479-77-6- PubChem CID
- 12374764
- UNII
- SB8D98P2EA
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 591
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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