Basic information
- CAS
893996-82-2- Standard SMILES
CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1- InChIKey
DXGFALXWLMQQMP-UHFFFAOYSA-N- Molecular formula
- C11H9N3O2S
- Average molar mass
- 247.28 g/mol
- Monoisotopic mass
- 247.04154771
Names & identifiers
- Preferred name
- 3-Methylsulfanyl-6-(3-nitrophenyl)pyridazine
- IUPAC
- 3-methylsulfanyl-6-(3-nitrophenyl)pyridazine
Names & synonyms
893996-82-23-(methylthio)-6-(3-nitrophenyl)pyridazine3-methylsulfanyl-6-(3-nitrophenyl)pyridazine3-(methylsulfanyl)-6-(3-nitrophenyl)pyridazineF1899-0526MLS000678599CHEMBL1556276SCHEMBL10016554DTXSID501319726HMS2729H04SMSSF-0044410AKOS024618276
Show more names
SMR0003238313-(methylthio)-6-(m-nitrophenyl)pyridazine
Database identifiers
- CAS
893996-82-2- PubChem CID
- 7205897
- DTXSID
DTXSID501319726- ChEMBL
CHEMBL1556276
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Experimental & physicochemical properties
Solubility6.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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