2-(Dimethylamino)-2-methylsulfanyl-2-phenylacetonitrile
Basic information
- CAS
4714-43-6- Standard SMILES
CSC(C#N)(c1ccccc1)N(C)C- InChIKey
RHTJUGWSXRJJBF-UHFFFAOYSA-N- Molecular formula
- C11H14N2S
- Average molar mass
- 206.31 g/mol
- Monoisotopic mass
- 206.08776963
Names & identifiers
- Preferred name
- 2-(Dimethylamino)-2-methylsulfanyl-2-phenylacetonitrile
- IUPAC
- 2-(dimethylamino)-2-methylsulfanyl-2-phenylacetonitrile
Names & synonyms
4714-43-62-(dimethylamino)-2-methylsulfanyl-2-phenylacetonitrileNSC288535DTXSID90314784NSC-288535(Dimethylamino)(methylsulfanyl)(phenyl)acetonitrile
Database identifiers
- CAS
4714-43-6- PubChem CID
- 324183
- DTXSID
DTXSID90314784
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
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Related reactions
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Compound notes
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