4-[(4-Chlorophenyl)sulfanyl]azetidin-2-one
Basic information
- CAS
68960-60-1- Standard SMILES
O=C1CC(Sc2ccc(Cl)cc2)N1- InChIKey
VYTVONIYWVXPHG-UHFFFAOYSA-N- Molecular formula
- C9H8ClNOS
- Average molar mass
- 213.68 g/mol
- Monoisotopic mass
- 213.0015127
Names & identifiers
- Preferred name
- 4-[(4-Chlorophenyl)sulfanyl]azetidin-2-one
- IUPAC
- 4-(4-chlorophenyl)sulfanylazetidin-2-one
Names & synonyms
4-[(4-chlorophenyl)sulfanyl]azetidin-2-one4-((4-Chlorophenyl)thio)azetidin-2-one68960-60-12-Azetidinone, 4-((4-chlorophenyl)thio)-DTXSID608758524-[(4-Chlorophenyl)thio]-2-azetidinone
Database identifiers
- CAS
68960-60-1- PubChem CID
- 111483
- DTXSID
DTXSID60875852- Nikkaji
- J345.126G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
LogP2.31
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Compound notes
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