2-[(Butylsulfanyl)methylidene]-6-methylcyclohexan-1-one
Basic information
- CAS
32116-70-4- Standard SMILES
CCCCSC=C1CCCC(C)C1=O- InChIKey
YKZJRIVWLPCINR-UHFFFAOYSA-N- Molecular formula
- C12H20OS
- Average molar mass
- 212.35 g/mol
- Monoisotopic mass
- 212.12348643
Names & identifiers
- Preferred name
- 2-[(Butylsulfanyl)methylidene]-6-methylcyclohexan-1-one
- IUPAC
- 2-(butylsulfanylmethylidene)-6-methylcyclohexan-1-one
- English name
- Cyclohexanone, 2-[(butylthio)methylene]-6-methyl-
- Molecular formula
- C12H20OS
- Molecular weight
- 212.35
Names & synonyms
32116-70-4DTXSID707839192-[(BUTYLSULFANYL)METHYLIDENE]-6-METHYLCYCLOHEXAN-1-ONE2-(BUTYLTHIOMETHYLENE)-6-METHYL-1-CYCLOHEXANONECyclohexanone, 2-[(butylthio)methylene]-6-methyl-
Database identifiers
- CAS
32116-70-4- PubChem CID
- 71360106
- DTXSID
DTXSID70783919
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 103 · 103-105 °C(Press: 0.05 Torr)
- Density
- 1.042 · 1.042±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…