3-Ethoxy-6-[(3-fluorobenzyl)sulfanyl]pyridazine
Basic information
- CAS
5273-50-7- Standard SMILES
CCOc1ccc(SCc2cccc(F)c2)nn1- InChIKey
JGFGAJXYKDVJJU-UHFFFAOYSA-N- Molecular formula
- C13H13FN2OS
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.07326238
Names & identifiers
- Preferred name
- 3-Ethoxy-6-[(3-fluorobenzyl)sulfanyl]pyridazine
- IUPAC
- 3-ethoxy-6-[(3-fluorophenyl)methylsulfanyl]pyridazine
Names & synonyms
5273-50-73-ethoxy-6-[(3-fluorobenzyl)sulfanyl]pyridazineNSC69026DTXSID90290498NSC-690263-ETHOXY-6-{[(3-FLUOROPHENYL)METHYL]SULFANYL}PYRIDAZINE
Database identifiers
- CAS
5273-50-7- PubChem CID
- 250038
- DTXSID
DTXSID90290498
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
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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