Basic information
- CAS
5273-48-3- Standard SMILES
Cc1ccc(SCc2ccccc2F)nn1- InChIKey
ITXZYJCIRFVMOR-UHFFFAOYSA-N- Molecular formula
- C12H11FN2S
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.06269769
Names & identifiers
- Preferred name
- 3-[(2-Fluorobenzyl)sulfanyl]-6-methylpyridazine
- IUPAC
- 3-[(2-fluorophenyl)methylsulfanyl]-6-methylpyridazine
Names & synonyms
5273-48-33-[(2-fluorobenzyl)sulfanyl]-6-methylpyridazineNSC69021DTXSID70290496NSC-690213-{[(2-FLUOROPHENYL)METHYL]SULFANYL}-6-METHYLPYRIDAZINE
Database identifiers
- CAS
5273-48-3- PubChem CID
- 250033
- DTXSID
DTXSID70290496
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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