3-[(3-Fluorobenzyl)sulfanyl]-6-methylpyridazine
Basic information
- CAS
5376-26-1- Standard SMILES
Cc1ccc(SCc2cccc(F)c2)nn1- InChIKey
NZOMBHHKULAWAI-UHFFFAOYSA-N- Molecular formula
- C12H11FN2S
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.06269769
Names & identifiers
- Preferred name
- 3-[(3-Fluorobenzyl)sulfanyl]-6-methylpyridazine
- IUPAC
- 3-[(3-fluorophenyl)methylsulfanyl]-6-methylpyridazine
Names & synonyms
5376-26-13-((3-Fluorobenzyl)thio)-6-methylpyridazine3-[(3-fluorobenzyl)sulfanyl]-6-methylpyridazineNSC69020DTXSID10290495NSC-690203-{[(3-FLUOROPHENYL)METHYL]SULFANYL}-6-METHYLPYRIDAZINE
Database identifiers
- CAS
5376-26-1- PubChem CID
- 250032
- DTXSID
DTXSID10290495
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
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Compound notes
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