Basic information
- CAS
63432-40-6- Standard SMILES
CSc1nn2ccc3ccccc3c2c1C#N- InChIKey
OMOMEWNGJPUNAK-UHFFFAOYSA-N- Molecular formula
- C13H9N3S
- Average molar mass
- 239.3 g/mol
- Monoisotopic mass
- 239.05171847
Names & identifiers
- Preferred name
- 2-(Methylsulfanyl)pyrazolo[5,1-a]isoquinoline-1-carbonitrile
- IUPAC
- 2-methylsulfanylpyrazolo[5,1-a]isoquinoline-1-carbonitrile
Names & synonyms
63432-40-6DTXSID004948642-(Methylsulfanyl)pyrazolo[5,1-a]isoquinoline-1-carbonitrile
Database identifiers
- CAS
63432-40-6- PubChem CID
- 12371639
- DTXSID
DTXSID00494864
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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