3-(2-Chlorophenyl)-5-[2-[[3-(methylthio)phenyl]amino]ethenyl]-4-isoxazolecarbonitrile
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Basic information
- CAS
320425-09-0- Standard SMILES
CSc1cccc(NC=Cc2onc(-c3ccccc3Cl)c2C#N)c1- InChIKey
FNXBNBXTPPUTRJ-UHFFFAOYSA-N- Molecular formula
- C19H14ClN3OS
- Average molar mass
- 367.861 g/mol
- Monoisotopic mass
- 367.05461075
Names & identifiers
- Preferred name
- 3-(2-Chlorophenyl)-5-[2-[[3-(methylthio)phenyl]amino]ethenyl]-4-isoxazolecarbonitrile
- IUPAC
- 3-(2-Chlorophenyl)-5-{2-[3-(methylsulfanyl)anilino]ethenyl}-1,2-oxazole-4-carbonitrile
- English name
- 3-(2-Chlorophenyl)-5-(2-[3-(methylsulfanyl)anilino]vinyl)-4-isoxazolecarbonitrile
- Molecular formula
- C19H14ClN3OS
- Molecular weight
- 367.85
Names & synonyms
3-(2-Chlorophenyl)-5-(2-[3-(methylsulfanyl)anilino]vinyl)-4-isoxazolecarbonitrile4-Isoxazolecarbonitrile, 3-(2-chlorophenyl)-5-[2-[[3-(methylthio)phenyl]amino]ethenyl]-3-(2-chlorophenyl)-5-[(E)-2-{[3-(methylsulfanyl)phenyl]amino}ethenyl]-1,2-oxazole-4-carbonitrile
Database identifiers
- CAS
320425-09-0- PubChem CID
- 1476904
- DTXSID
DTXSID401127451
Properties
Physicochemical properties
- Boiling point
- 611.6 · 611.6±55.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 0.24 · 0.24±0.70(Predicted)
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Compound notes
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