Basic information
- CAS
723753-80-8- Standard SMILES
CSc1ccc(CNc2ccc(F)cc2)cc1- InChIKey
WXPYBGTYDKSXMQ-UHFFFAOYSA-N- Molecular formula
- C14H14FNS
- Average molar mass
- 247.33 g/mol
- Monoisotopic mass
- 247.08309879
Names & identifiers
- Preferred name
- 4-fluoro-N-[4-(methylsulfanyl)benzyl]aniline
- IUPAC
- 4-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline
- English name
- 4-fluoro-N-{[4-(methylsulfanyl)phenyl]methyl}aniline
- Molecular formula
- C14H14FNS
- Molecular weight
- 247.33
Names & synonyms
723753-80-84-Fluoro-N-(4-(methylthio)benzyl)aniline4-fluoro-N-[4-(methylsulfanyl)benzyl]anilineN-(4-Fluorophenyl)-4-(methylthio)benzenemethanamine4-fluoro-N-[(4-methylsulfanylphenyl)methyl]anilineDTXSID701224424STK324060AKOS000284571AN-465/42886478N-(4-fluorophenyl)-N-[4-(methylsulfanyl)benzyl]amineBenzenemethanamine, N-(4-fluorophenyl)-4-(methylthio)-4-FLUORO-N-{[4-(METHYLSULFANYL)PHENYL]METHYL}ANILINE
Database identifiers
- CAS
723753-80-8- PubChem CID
- 834569
- DTXSID
DTXSID701224424
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 375.5 · 375.5±32.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 3.85 · 3.85±0.25(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
UKRORGSYN-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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