2-(Benzylsulfanyl)-N-methylaniline
Basic information
- CAS
109334-46-5- Standard SMILES
CNc1ccccc1SCc1ccccc1- InChIKey
DJKOCTHCAZRGPV-UHFFFAOYSA-N- Molecular formula
- C14H15NS
- Average molar mass
- 229.34 g/mol
- Monoisotopic mass
- 229.09252066
Names & identifiers
- Preferred name
- 2-(Benzylsulfanyl)-N-methylaniline
- IUPAC
- 2-benzylsulfanyl-N-methylaniline
Names & synonyms
109334-46-52-(Benzylsulfanyl)-N-methylanilineDTXSID40524179
Database identifiers
- CAS
109334-46-5- PubChem CID
- 13166191
- DTXSID
DTXSID40524179
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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