N-Methyl-2-(methylsulfanyl)-N-phenylbutanamide
Basic information
- CAS
63017-93-6- Standard SMILES
CCC(SC)C(=O)N(C)c1ccccc1- InChIKey
JVHSBXKRERUBJZ-UHFFFAOYSA-N- Molecular formula
- C12H17NOS
- Average molar mass
- 223.34 g/mol
- Monoisotopic mass
- 223.10308534
Names & identifiers
- Preferred name
- N-Methyl-2-(methylsulfanyl)-N-phenylbutanamide
- IUPAC
- N-methyl-2-methylsulfanyl-N-phenylbutanamide
Names & synonyms
63017-93-6NSC298373N-Methyl-2-(methylsulfanyl)-N-phenylbutanamideDTXSID70315996NSC-298373DS-010553BUTANAMIDE,N-METHYL-2-(METHYLTHIO)-N-PHENYL-
Database identifiers
- CAS
63017-93-6- PubChem CID
- 326690
- DTXSID
DTXSID70315996
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
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Related reactions
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Compound notes
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