2-(Methylthio)-3-quinolinecarbonitrile
Basic information
- CAS
101617-92-9- Standard SMILES
CSc1nc2ccccc2cc1C#N- InChIKey
TYLRFEOMZXHQPL-UHFFFAOYSA-N- Molecular formula
- C11H8N2S
- Average molar mass
- 200.26 g/mol
- Monoisotopic mass
- 200.04081944
Names & identifiers
- Preferred name
- 2-(Methylthio)-3-quinolinecarbonitrile
- IUPAC
- 2-methylsulfanylquinoline-3-carbonitrile
Names & synonyms
101617-92-92-(Methylthio)-3-quinolinecarbonitrileDTXSID501284155AKOS0136457062-(methylsulfanyl)-3-quinolinecarbonitrile2-(Methylsulfanyl)quinoline-3-carbonitrileAO-799/42008034
Database identifiers
- CAS
101617-92-9- PubChem CID
- 849488
- DTXSID
DTXSID501284155
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 245
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Compound notes
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