3-(Benzylsulfanyl)-6-propoxypyridazine
Basic information
- CAS
5273-53-0- Standard SMILES
CCCOc1ccc(SCc2ccccc2)nn1- InChIKey
JDLJEAFUASREHK-UHFFFAOYSA-N- Molecular formula
- C14H16N2OS
- Average molar mass
- 260.36 g/mol
- Monoisotopic mass
- 260.09833431
Names & identifiers
- Preferred name
- 3-(Benzylsulfanyl)-6-propoxypyridazine
- IUPAC
- 3-benzylsulfanyl-6-propoxypyridazine
Names & synonyms
5273-53-03-(Benzylthio)-6-propoxypyridazine3-(benzylsulfanyl)-6-propoxypyridazineNSC69045DTXSID80290503NSC-69045
Database identifiers
- CAS
5273-53-0- PubChem CID
- 250057
- DTXSID
DTXSID80290503
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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