4-(Methylsulfinyl)pyridine
Basic information
- CAS
21948-76-5- Standard SMILES
CS(=O)c1ccncc1- InChIKey
HYVLELBIMWJSDS-UHFFFAOYSA-N- Molecular formula
- C6H7NOS
- Average molar mass
- 141.19 g/mol
- Monoisotopic mass
- 141.02483502
Names & identifiers
- Preferred name
- 4-(Methylsulfinyl)pyridine
- IUPAC
- 4-methylsulfinylpyridine
- English name
- 4-(Methylsulfinyl)pyridine
- Molecular formula
- C6H7NOS
- Molecular weight
- 141.19
Names & synonyms
4-(Methylsulfinyl)pyridine21948-76-54-methylsulfinylpyridine4-(Methanesulfinyl)pyridinepyridine, 4-methylsulphinyl-SCHEMBL4311351SCHEMBL4921259SCHEMBL6973593DTXSID70516289DB-007945Pyridine, 4-(methylsulfinyl)-
Database identifiers
- CAS
21948-76-5- PubChem CID
- 13047072
- DTXSID
DTXSID70516289- Nikkaji
- J973.288H
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 308.4 · 308.4±15.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 2.72 · 2.72±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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