Basic information
- CAS
593247-77-9- Standard SMILES
O=[N+]([O-])c1ccc(Sc2cc(-c3ccncc3)co2)c([N+](=O)[O-])c1- InChIKey
ZIQZZVFHTHFBIH-UHFFFAOYSA-N- Molecular formula
- C15H9N3O5S
- Average molar mass
- 343.3 g/mol
- Monoisotopic mass
- 343.02629157
Names & identifiers
- Preferred name
- 4-{5-[(2,4-Dinitrophenyl)sulfanyl]furan-3-yl}pyridine
- IUPAC
- 4-[5-(2,4-dinitrophenyl)sulfanylfuran-3-yl]pyridine
Names & synonyms
593247-77-94-{5-[(2,4-Dinitrophenyl)sulfanyl]furan-3-yl}pyridineDTXSID70787179
Database identifiers
- CAS
593247-77-9- PubChem CID
- 71363665
- DTXSID
DTXSID70787179
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…