Cyclohexanone, 2-(methylsulfinyl)-2-(methylthio)-
Basic information
- CAS
823221-70-1- Standard SMILES
CSC1(S(C)=O)CCCCC1=O- InChIKey
IVYIDAYPZVWIJC-UHFFFAOYSA-N- Molecular formula
- C8H14O2S2
- Average molar mass
- 206.3 g/mol
- Monoisotopic mass
- 206.04352203
Names & identifiers
- Preferred name
- Cyclohexanone, 2-(methylsulfinyl)-2-(methylthio)-
- IUPAC
- 2-methylsulfanyl-2-methylsulfinylcyclohexan-1-one
Names & synonyms
823221-70-1Cyclohexanone, 2-(methylsulfinyl)-2-(methylthio)-DTXSID30459789RefChem:335579DTXCID804106082-(Methanesulfinyl)-2-(methylsulfanyl)cyclohexan-1-one
Database identifiers
- CAS
823221-70-1- PubChem CID
- 11241207
- DTXSID
DTXSID30459789- Nikkaji
- J2.134.848A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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