2-Methyl-5-phenylsulfanylpyridine
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Basic information
- CAS
779979-90-7- Standard SMILES
Cc1ccc(Sc2ccccc2)cn1- InChIKey
VAAIBHYMWLUANI-UHFFFAOYSA-N- Molecular formula
- C12H11NS
- Average molar mass
- 201.29 g/mol
- Monoisotopic mass
- 201.06122053
Names & identifiers
- Preferred name
- 2-Methyl-5-phenylsulfanylpyridine
- IUPAC
- 2-methyl-5-phenylsulfanylpyridine
- English name
- Pyridine, 2-methyl-5-(phenylthio)- (9CI)
- Molecular formula
- C12H11NS
- Molecular weight
- 201.29
Names & synonyms
779979-90-7Pyridine, 2-methyl-5-(phenylthio)-Pyridine, 2-methyl-5-(phenylthio)- (9CI)
Database identifiers
- CAS
779979-90-7- PubChem CID
- 12204954
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 329.3 · 329.3±22.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 5.16 · 5.16±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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