3-((3-Chlorobenzyl)thio)-6-(pyridin-3-yl)pyridazine
Basic information
- CAS
896058-36-9- Standard SMILES
Clc1cccc(CSc2ccc(-c3cccnc3)nn2)c1- InChIKey
ZZJXHXPGBMGTSE-UHFFFAOYSA-N- Molecular formula
- C16H12ClN3S
- Average molar mass
- 313.8 g/mol
- Monoisotopic mass
- 313.0440463
Names & identifiers
- Preferred name
- 3-((3-Chlorobenzyl)thio)-6-(pyridin-3-yl)pyridazine
- IUPAC
- 3-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine
Names & synonyms
896058-36-93-((3-chlorobenzyl)thio)-6-(pyridin-3-yl)pyridazine3-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine3-{[(3-chlorophenyl)methyl]sulfanyl}-6-(pyridin-3-yl)pyridazineMLS000678545F2005-0299CHEMBL1571119DTXSID801324407HMS2772L04AKOS024620310SMR000324026
Database identifiers
- CAS
896058-36-9- PubChem CID
- 7207488
- DTXSID
DTXSID801324407- ChEMBL
CHEMBL1571119
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 318
Experimental & physicochemical properties
Solubility7.9 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…