Basic information
- CAS
119005-22-0- Standard SMILES
O=C1CC(Sc2ccc3ccccc3c2)N1- InChIKey
RLRSLUKTBGWOQF-UHFFFAOYSA-N- Molecular formula
- C13H11NOS
- Average molar mass
- 229.3 g/mol
- Monoisotopic mass
- 229.05613515
Names & identifiers
- Preferred name
- 4-Naphthalen-2-ylsulfanylazetidin-2-one
- IUPAC
- 4-naphthalen-2-ylsulfanylazetidin-2-one
Names & synonyms
119005-22-04-naphthalen-2-ylsulfanylazetidin-2-one2-Azetidinone, 4-naphthalen-2-ylthio-DTXSID108743902-Azetidinone, 4-(2-naphthalenylthio)-4-[(Naphthalen-2-yl)sulfanyl]azetidin-2-one
Database identifiers
- CAS
119005-22-0- PubChem CID
- 86167
- DTXSID
DTXSID10874390- Nikkaji
- J1.561.379C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 281
Experimental & physicochemical properties
LogP2.64
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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