Basic information
- Standard SMILES
CC(C)(C)n1ncc(SCc2ccc(C=C(Cl)Cl)cc2)c(Cl)c1=O- InChIKey
IBNAZMYSVMFKLM-UHFFFAOYSA-N- Molecular formula
- C17H17Cl3N2OS
- Average molar mass
- 403.8 g/mol
- Monoisotopic mass
- 402.012717
Names & identifiers
- Preferred name
- 2-tert.-butyl-4-chloro-5-[4-(2,2-dichloroethenyl)-benzylthio]-3(2H)-pyridazinone
- IUPAC
- 2-tert-butyl-4-chloro-5-[[4-(2,2-dichloroethenyl)phenyl]methylsulfanyl]pyridazin-3-one
Names & synonyms
SCHEMBL9156982IBNAZMYSVMFKLM-UHFFFAOYSA-N2-tert.-butyl-4-chloro-5-[4-(2,2-dichloroethenyl)-benzylthio]-3(2H)-pyridazinone
Database identifiers
- PubChem CID
- 19807201
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 569
Related reactions
2 records
Compound notes
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