Basic information
- CAS
61394-59-0- Standard SMILES
CSC1C(=O)Nc2cccc(C#N)c21- InChIKey
PLKFBNWDYFTNAE-UHFFFAOYSA-N- Molecular formula
- C10H8N2OS
- Average molar mass
- 204.25 g/mol
- Monoisotopic mass
- 204.03573406
Names & identifiers
- Preferred name
- 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile
- IUPAC
- 3-methylsulfanyl-2-oxo-1,3-dihydroindole-4-carbonitrile
Names & synonyms
61394-59-0NSC 298336NSC298336DTXSID603159803-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrileNSC-298336
Database identifiers
- CAS
61394-59-0- PubChem CID
- 326656
- DTXSID
DTXSID60315980
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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