Basic information
- CAS
5376-24-9- Standard SMILES
O=c1c(SCc2cccc(F)c2)c(SCc2cccc(F)c2)cnn1-c1ccccc1- InChIKey
QIHKZJQVQOBZCB-UHFFFAOYSA-N- Molecular formula
- C24H18F2N2OS2
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.08286187
Names & identifiers
- Preferred name
- 4,5-Bis((3-fluorobenzyl)thio)-2-phenyl-3(2H)-pyridazinone
- IUPAC
- 4,5-bis[(3-fluorophenyl)methylsulfanyl]-2-phenylpyridazin-3-one
Names & synonyms
5376-24-94,5-Bis((3-fluorobenzyl)thio)-2-phenyl-3(2H)-pyridazinoneU9UJN9LUI9UNII-U9UJN9LUI9NSC 66138NSC-66138DTXSID902020363(2H)-PYRIDAZINONE, 4,5-BIS((M-FLUOROBENZYL)THIO)-2-PHENYL-3(2H)-PYRIDAZINONE, 4,5-BIS(((3-FLUOROPHENYL)METHYL)THIO)-2-PHENYL-RefChem:96412DTXCID90124527NSC66138
Show more names
4,5-bis[(3-fluorophenyl)methylsulfanyl]-2-phenyl-pyridazin-3-one4,5-Bis{[(3-fluorophenyl)methyl]sulfanyl}-2-phenylpyridazin-3(2H)-one
Database identifiers
- CAS
5376-24-9- PubChem CID
- 415035
- DTXSID
DTXSID90202036- UNII
- U9UJN9LUI9
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 680
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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