Basic information
- CAS
5273-19-8- Standard SMILES
CCOc1ccc(SCc2ccccc2)nn1- InChIKey
GGGLAIPTDHMBBU-UHFFFAOYSA-N- Molecular formula
- C13H14N2OS
- Average molar mass
- 246.33 g/mol
- Monoisotopic mass
- 246.08268425
Names & identifiers
- Preferred name
- 3-(Benzylsulfanyl)-6-ethoxypyridazine
- IUPAC
- 3-benzylsulfanyl-6-ethoxypyridazine
Names & synonyms
3-(benzylsulfanyl)-6-ethoxypyridazine5273-19-83-(Benzylthio)-6-ethoxypyridazineNSC69032DTXSID00290500NSC-69032AM-944/40947637
Database identifiers
- CAS
5273-19-8- PubChem CID
- 250044
- DTXSID
DTXSID00290500
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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