Basic information
- CAS
46811-21-6- Standard SMILES
CC(Sc1ccccn1)C(=O)c1ccccc1- InChIKey
ICAQCWAMGXRFTJ-UHFFFAOYSA-N- Molecular formula
- C14H13NOS
- Average molar mass
- 243.33 g/mol
- Monoisotopic mass
- 243.07178521
Names & identifiers
- Preferred name
- 1-Phenyl-2-pyridin-2-ylsulfanylpropan-1-one
- IUPAC
- 1-phenyl-2-pyridin-2-ylsulfanylpropan-1-one
Names & synonyms
1-phenyl-2-pyridin-2-ylsulfanylpropan-1-one46811-21-6DTXSID40319123RefChem:233113DTXCID00270246NSC340047AKOS006477345NSC-340047DS-0086521-Phenyl-2-[(pyridin-2-yl)sulfanyl]propan-1-one1-PROPANONE,1-PHENYL-2-(2-PYRIDINYLTHIO)-
Database identifiers
- CAS
46811-21-6- PubChem CID
- 334552
- DTXSID
DTXSID40319123
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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