3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine
Basic information
- CAS
5273-52-9- Standard SMILES
CCOc1ccc(SCc2ccc(Br)cc2)nn1- InChIKey
AVNLQCCWGABQIX-UHFFFAOYSA-N- Molecular formula
- C13H13BrN2OS
- Average molar mass
- 325.23 g/mol
- Monoisotopic mass
- 323.9932
Names & identifiers
- Preferred name
- 3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine
- IUPAC
- 3-[(4-bromophenyl)methylsulfanyl]-6-ethoxypyridazine
Names & synonyms
5273-52-93-[(4-bromobenzyl)sulfanyl]-6-ethoxypyridazineNSC69024DTXSID30290497NSC-690243-{[(4-BROMOPHENYL)METHYL]SULFANYL}-6-ETHOXYPYRIDAZINE
Database identifiers
- CAS
5273-52-9- PubChem CID
- 250036
- DTXSID
DTXSID30290497
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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