Acridine, 4,9-bis(ethylthio)-1-nitro-
Basic information
- CAS
128093-92-5- Standard SMILES
CCSc1ccc([N+](=O)[O-])c2c(SCC)c3ccccc3nc12- InChIKey
NVHKKDFBUAXEPP-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2S2
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.0653201
Names & identifiers
- Preferred name
- Acridine, 4,9-bis(ethylthio)-1-nitro-
- IUPAC
- 4,9-bis(ethylsulfanyl)-1-nitroacridine
Names & synonyms
Acridine, 4,9-bis(ethylthio)-1-nitro-4,9-Bis(ethylthio)-1-nitroacridineBRN 3565653128093-92-5DTXSID20155804RefChem:317087DTXCID0078295NSC6204794,9-bis(ethylsulfanyl)-1-nitroacridineNSC-6204794,9-bis(ethylsulfanyl)-1-nitro-acridine4,9-Bis(ethylthio)-1-(hydroxy(oxido)amino)acridine
Database identifiers
- CAS
128093-92-5- PubChem CID
- 359498
- DTXSID
DTXSID20155804- Nikkaji
- J531.545J
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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