Basic information
- CAS
58259-35-1- Standard SMILES
CSc1ccc(NCc2ccccc2)cc1- InChIKey
LNQFZNMJFSDECB-UHFFFAOYSA-N- Molecular formula
- C14H15NS
- Average molar mass
- 229.34 g/mol
- Monoisotopic mass
- 229.09252048
Names & identifiers
- Preferred name
- N-[4-(Methylthio)phenyl]benzenemethanamine
- IUPAC
- N-benzyl-4-methylsulfanylaniline
Names & synonyms
58259-35-1N-[4-(Methylthio)phenyl]benzenemethanamineN-(4-(Methylthio)phenyl)benzenemethanamineRefChem:361677N-BENZYL-4-(METHYLSULFANYL)ANILINE4-(N-Benzyl)aminothioanisoleSCHEMBL5605002N-Benzyl-4-(methylthio)anilineLNQFZNMJFSDECB-UHFFFAOYSA-NDTXSID501266509AKOS000229633
Database identifiers
- CAS
58259-35-1- PubChem CID
- 9964622
- DTXSID
DTXSID501266509- Nikkaji
- J3.469.632B
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 181
Related reactions
5 records
Compound notes
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