Basic information
- CAS
88491-14-9- Standard SMILES
CSC1C(=O)C2CCC1C2- InChIKey
LCIUJYAJTMGHDN-UHFFFAOYSA-N- Molecular formula
- C8H12OS
- Average molar mass
- 156.25 g/mol
- Monoisotopic mass
- 156.06088618
Names & identifiers
- Preferred name
- 3-(Methylsulfanyl)bicyclo[2.2.1]heptan-2-one
- IUPAC
- 3-methylsulfanylbicyclo[2.2.1]heptan-2-one
Names & synonyms
88491-14-93-(Methylsulfanyl)bicyclo[2.2.1]heptan-2-oneDTXSID30520448
Database identifiers
- CAS
88491-14-9- PubChem CID
- 13128917
- DTXSID
DTXSID30520448
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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