4-(4-Chlorophenyl)-2-[(4-methoxyphenyl)sulfanyl]nicotinonitrile
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Basic information
- CAS
339103-60-5- Standard SMILES
COc1ccc(Sc2nccc(-c3ccc(Cl)cc3)c2C#N)cc1- InChIKey
NWPOAAIIZQCBPJ-UHFFFAOYSA-N- Molecular formula
- C19H13ClN2OS
- Average molar mass
- 352.8 g/mol
Names & identifiers
- Preferred name
- 4-(4-Chlorophenyl)-2-[(4-methoxyphenyl)sulfanyl]nicotinonitrile
- IUPAC
- 4-(4-chlorophenyl)-2-(4-methoxyphenyl)sulfanylpyridine-3-carbonitrile
- English name
- 4-(4-Chlorophenyl)-2-[(4-methoxyphenyl)sulfanyl]nicotinonitrile
- Molecular formula
- C19H13ClN2OS
- Molecular weight
- 352.84
Names & synonyms
339103-60-54-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfanyl]nicotinonitrile4-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfanyl]pyridine-3-carbonitrile4-(4-chlorophenyl)-2-(4-methoxyphenyl)sulfanylpyridine-3-carbonitrileBionet1_003000Oprea1_467271HMS577B22MFCD01444228AKOS0051016498M-545S4-(4-Chlorophenyl)-2-((4-methoxyphenyl)thio)nicotinonitrile4-(4-chlorophenyl)-2-(4-methoxyphenyl)sulfanyl-pyridine-3-carbonitrile
Show more names
3-Pyridinecarbonitrile, 4-(4-chlorophenyl)-2-[(4-methoxyphenyl)thio]-
Database identifiers
- CAS
339103-60-5
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Boiling point
- 542 · 542.0±50.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- -0.73 · -0.73±0.37(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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