Basic information
- CAS
66168-30-7- Standard SMILES
CNc1ccc(Sc2ccccc2)cc1- InChIKey
RPPNNTBEYGLDRA-UHFFFAOYSA-N- Molecular formula
- C13H13NS
- Average molar mass
- 215.32 g/mol
- Monoisotopic mass
- 215.07687059
Names & identifiers
- Preferred name
- N-Methyl-4-(phenylsulfanyl)aniline
- IUPAC
- N-methyl-4-phenylsulfanylaniline
Names & synonyms
N-Methyl-4-(phenylsulfanyl)aniline66168-30-7DTXSID90495385RefChem:364475DTXCID90446195CHEMBL170443SCHEMBL6975747
Database identifiers
- CAS
66168-30-7- PubChem CID
- 12379734
- DTXSID
DTXSID90495385- ChEMBL
CHEMBL170443- Nikkaji
- J2.939.066E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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