4,5-Bis((2-chlorobenzyl)thio)-2-phenyl-3(2H)-pyridazinone
Basic information
- CAS
5273-34-7- Standard SMILES
O=c1c(SCc2ccccc2Cl)c(SCc2ccccc2Cl)cnn1-c1ccccc1- InChIKey
HNIIRXVKRFBAIM-UHFFFAOYSA-N- Molecular formula
- C24H18Cl2N2OS2
- Average molar mass
- 485.4 g/mol
- Monoisotopic mass
- 484.0237609
Names & identifiers
- Preferred name
- 4,5-Bis((2-chlorobenzyl)thio)-2-phenyl-3(2H)-pyridazinone
- IUPAC
- 4,5-bis[(2-chlorophenyl)methylsulfanyl]-2-phenylpyridazin-3-one
- English name
- 4,5-bis[(2-chlorobenzyl)sulfanyl]-2-phenyl-3(2H)-pyridazinone
- Molecular formula
- C24H18Cl2N2OS2
- Molecular weight
- 485.44852
Names & synonyms
5273-34-74,5-Bis((2-chlorobenzyl)thio)-2-phenyl-3(2H)-pyridazinoneNSC66135NSC 66135NSC-661354,5-bis[(2-chlorophenyl)methylsulfanyl]-2-phenylpyridazin-3-oneKCC3SX8EVHSCHEMBL13219355DTXSID40200709AP-786/422999664,5-bis[(2-chlorobenzyl)sulfanyl]-2-phenyl-3(2H)-pyridazinone4,5-bis[(2-chlorophenyl)methylsulfanyl]-2-phenyl-pyridazin-3-one
Show more names
4,5-Bis[[(2-chlorophenyl)methyl]thio]-2-phenyl-3(2H)-pyridazinone3(2H)-Pyridazinone, 4,5-bis[[(2-chlorophenyl)methyl]thio]-2-phenyl-4,5-Bis{[(2-chlorophenyl)methyl]sulfanyl}-2-phenylpyridazin-3(2H)-one
Database identifiers
- CAS
5273-34-7- PubChem CID
- 415032
- DTXSID
DTXSID40200709- UNII
- KCC3SX8EVH
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
- 680
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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