4,5-Bis((4-chlorobenzyl)thio)-2-phenyl-3(2H)-pyridazinone
Basic information
- CAS
5273-35-8- Standard SMILES
O=c1c(SCc2ccc(Cl)cc2)c(SCc2ccc(Cl)cc2)cnn1-c1ccccc1- InChIKey
SHPQJGZOGYWBDE-UHFFFAOYSA-N- Molecular formula
- C24H18Cl2N2OS2
- Average molar mass
- 485.4 g/mol
- Monoisotopic mass
- 484.0237609
Names & identifiers
- Preferred name
- 4,5-Bis((4-chlorobenzyl)thio)-2-phenyl-3(2H)-pyridazinone
- IUPAC
- 4,5-bis[(4-chlorophenyl)methylsulfanyl]-2-phenylpyridazin-3-one
- English name
- 4,5-bis[(4-chlorobenzyl)sulfanyl]-2-phenyl-3(2H)-pyridazinone
- Molecular formula
- C24H18Cl2N2OS2
- Molecular weight
- 485.44852
Names & synonyms
5273-35-84,5-Bis((4-chlorobenzyl)thio)-2-phenyl-3(2H)-pyridazinoneJY5FJ8DCM3NSC66136UNII-JY5FJ8DCM3NSC 661364,5-bis[(4-chlorophenyl)methylsulfanyl]-2-phenylpyridazin-3-oneNSC-66136DTXSID50200710AM-944/409476024,5-bis[(4-chlorobenzyl)sulfanyl]-2-phenyl-3(2H)-pyridazinone4,5-bis[(4-chlorophenyl)methylsulfanyl]-2-phenyl-pyridazin-3-one
Show more names
4,5-Bis[[(4-chlorophenyl)methyl]thio]-2-phenyl-3(2H)-pyridazinone3(2H)-Pyridazinone, 4,5-bis[[(4-chlorophenyl)methyl]thio]-2-phenyl-4,5-Bis{[(4-chlorophenyl)methyl]sulfanyl}-2-phenylpyridazin-3(2H)-one
Database identifiers
- CAS
5273-35-8- PubChem CID
- 415033
- DTXSID
DTXSID50200710- UNII
- JY5FJ8DCM3
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 664
Physicochemical properties
- FDA UNII
- 5 FJ8DCM3 · JY5FJ8DCM3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…