3-{[(4-Bromophenyl)methyl]sulfanyl}-6-propoxypyridazine
Basic information
- CAS
5047-91-6- Standard SMILES
CCCOc1ccc(SCc2ccc(Br)cc2)nn1- InChIKey
YEQQHXHZZIGHKS-UHFFFAOYSA-N- Molecular formula
- C14H15BrN2OS
- Average molar mass
- 339.25 g/mol
- Monoisotopic mass
- 338.00885
Names & identifiers
- Preferred name
- 3-{[(4-Bromophenyl)methyl]sulfanyl}-6-propoxypyridazine
- IUPAC
- 3-[(4-bromophenyl)methylsulfanyl]-6-propoxypyridazine
Names & synonyms
5047-91-6NSC690376954-08-13-{[(4-Bromophenyl)methyl]sulfanyl}-6-propoxypyridazineDTXSID30964702NSC-69037
Database identifiers
- CAS
5047-91-6、6954-08-1- PubChem CID
- 250049
- DTXSID
DTXSID30964702
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…