4-Pyridin-2-ylsulfanylazetidin-2-one
Basic information
- CAS
119005-23-1- Standard SMILES
O=C1CC(Sc2ccccn2)N1- InChIKey
JUGBCROTSIUESU-UHFFFAOYSA-N- Molecular formula
- C8H8N2OS
- Average molar mass
- 180.23 g/mol
- Monoisotopic mass
- 180.03573406
Names & identifiers
- Preferred name
- 4-Pyridin-2-ylsulfanylazetidin-2-one
- IUPAC
- 4-pyridin-2-ylsulfanylazetidin-2-one
Names & synonyms
119005-23-12-Azetidinone, 4-(2-pyridinylthio)-4-pyridin-2-ylsulfanylazetidin-2-one2-Azetidinone, 4-pyridin-2-ylthio-DTXSID908757844-(2-pyridylsulfanyl)azetidin-2-one4-[(Pyridin-2-yl)sulfanyl]azetidin-2-one
Database identifiers
- CAS
119005-23-1- PubChem CID
- 86168
- DTXSID
DTXSID90875784- Nikkaji
- J1.561.380G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
LogP1.81
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Compound notes
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