6-[2-(5-Nitro-2,1-benzothiazol-3-yl)hydrazinylidene]-2-(propan-2-yl)cyclohexa-2,4-dien-1-one
Basic information
- CAS
182746-75-4- Standard SMILES
CC(C)c1cccc(N=Nc2snc3ccc([N+](=O)[O-])cc23)c1O- InChIKey
JFFXDMMVXRIRMZ-UHFFFAOYSA-N- Molecular formula
- C16H14N4O3S
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.07866149
Names & identifiers
- Preferred name
- 6-[2-(5-Nitro-2,1-benzothiazol-3-yl)hydrazinylidene]-2-(propan-2-yl)cyclohexa-2,4-dien-1-one
- IUPAC
- 2-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]-6-propan-2-ylphenol
Names & synonyms
182746-75-46-[2-(5-Nitro-2,1-benzothiazol-3-yl)hydrazinylidene]-2-(propan-2-yl)cyclohexa-2,4-dien-1-oneDTXSID80775502
Database identifiers
- CAS
182746-75-4- PubChem CID
- 136229396
- DTXSID
DTXSID80775502
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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