3-[(2-Fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
Basic information
- CAS
872722-95-7- Standard SMILES
Fc1ccccc1CSc1ccc(-c2ccco2)nn1- InChIKey
VWBRRCFASBDTMG-UHFFFAOYSA-N- Molecular formula
- C15H11FN2OS
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.05761231
Names & identifiers
- Preferred name
- 3-[(2-Fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
- IUPAC
- 3-[(2-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
Names & synonyms
872722-95-73-[(2-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazineMLS0006784723-{[(2-fluorophenyl)methyl]sulfanyl}-6-(furan-2-yl)pyridazine3-((2-fluorobenzyl)thio)-6-(furan-2-yl)pyridazineSMR000323943F2004-0012CHEMBL1377709BDBM93833cid_7207095DTXSID001327388HMS2712D21
Show more names
AKOS0246200863-[(2-fluorobenzyl)thio]-6-(2-furyl)pyridazine3-[(2-fluorophenyl)methylthio]-6-(2-furanyl)pyridazine
Database identifiers
- CAS
872722-95-7- PubChem CID
- 7207095
- DTXSID
DTXSID001327388- ChEMBL
CHEMBL1377709
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 308
Experimental & physicochemical properties
Solubility3.7 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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