3-Ethoxy-6-[(4-fluorobenzyl)sulfanyl]pyridazine
Basic information
- CAS
5273-51-8- Standard SMILES
CCOc1ccc(SCc2ccc(F)cc2)nn1- InChIKey
WBPPMMOCXNRZCW-UHFFFAOYSA-N- Molecular formula
- C13H13FN2OS
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.07326238
Names & identifiers
- Preferred name
- 3-Ethoxy-6-[(4-fluorobenzyl)sulfanyl]pyridazine
- IUPAC
- 3-ethoxy-6-[(4-fluorophenyl)methylsulfanyl]pyridazine
Names & synonyms
5273-51-83-ethoxy-6-[(4-fluorobenzyl)sulfanyl]pyridazineNSC69027DTXSID50290499NSC-690273-Ethoxy-6-{[(4-fluorophenyl)methyl]sulfanyl}pyridazine
Database identifiers
- CAS
5273-51-8- PubChem CID
- 250039
- DTXSID
DTXSID50290499
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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