Basic information
- Standard SMILES
COc1ccc(CSc2cccc(N)c2)cc1- InChIKey
LGSNEONMMVDPEE-UHFFFAOYSA-N- Molecular formula
- C14H15NOS
- Average molar mass
- 245.34 g/mol
Names & identifiers
- Preferred name
- 3-(4-Methoxy phenylmethylthio)phenylamine
- IUPAC
- 3-[(4-methoxyphenyl)methylsulfanyl]aniline
Names & synonyms
95903-84-7SCHEMBL6153761SCHEMBL6153764LGSNEONMMVDPEE-UHFFFAOYSA-NAKOS0176852373-(4-Methoxy phenylmethylthio)phenylamineDA-200143-(((4-Methoxyphenyl)methyl)thio)aniline
Database identifiers
- PubChem CID
- 13745144
- Nikkaji
- J3.627.435B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 216
Related reactions
2 records
Compound notes
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