4,5-Bis((2,4-dichlorobenzyl)thio)-2-phenyl-3(2H)-pyridazinone
Basic information
- CAS
5589-93-5- Standard SMILES
O=c1c(SCc2ccc(Cl)cc2Cl)c(SCc2ccc(Cl)cc2Cl)cnn1-c1ccccc1- InChIKey
OOZZPGKTPMETDR-UHFFFAOYSA-N- Molecular formula
- C24H16Cl4N2OS2
- Average molar mass
- 554.3 g/mol
- Monoisotopic mass
- 551.945816
Names & identifiers
- Preferred name
- 4,5-Bis((2,4-dichlorobenzyl)thio)-2-phenyl-3(2H)-pyridazinone
- IUPAC
- 4,5-bis[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylpyridazin-3-one
Names & synonyms
5589-93-54,5-Bis((2,4-dichlorobenzyl)thio)-2-phenyl-3(2H)-pyridazinoneYM9P8R51YLUNII-YM9P8R51YLNSC 66132NSC-66132DTXSID202044823(2H)-PYRIDAZINONE, 4,5-BIS((2,4-DICHLOROBENZYL)THIO)-2-PHENYL-3(2H)-PYRIDAZINONE, 4,5-BIS(((2,4-DICHLOROPHENYL)METHYL)THIO)-2-PHENYL-4,5-BIS(((2,4-DICHLOROPHENYL)METHYL)THIO)-2-PHENYL-3(2H)-PYRIDAZINONERefChem:96411DTXCID20126973
Show more names
NSC661324,5-bis[(2,4-dichlorophenyl)methylsulfanyl]-2-phenylpyridazin-3-oneSCHEMBL13219403AM-944/409478814,5-bis[(2,4-dichlorobenzyl)sulfanyl]-2-phenyl-3(2H)-pyridazinone4,5-bis[(2,4-dichlorophenyl)methylsulfanyl]-2-phenyl-pyridazin-3-one4,5-Bis{[(2,4-dichlorophenyl)methyl]sulfanyl}-2-phenylpyridazin-3(2H)-one
Database identifiers
- CAS
5589-93-5- PubChem CID
- 415029
- DTXSID
DTXSID20204482- UNII
- YM9P8R51YL
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 746
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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