Basic information
- CAS
2976-98-9- Standard SMILES
CCCCS(C)=O- InChIKey
QPKGDTBMWSPKDT-UHFFFAOYSA-N- Molecular formula
- C5H12OS
- Average molar mass
- 120.22 g/mol
- Monoisotopic mass
- 120.06088618
Names & identifiers
- Preferred name
- Butane, 1-(methylsulfinyl)-
- IUPAC
- 1-methylsulfinylbutane
- English name
- butyl methyl sulfoxide
- Molecular formula
- C5H12OS
- Molecular weight
- 120.21
Names & synonyms
Butane, 1-(methylsulfinyl)-2976-98-91-methylsulfinylbutaneButyl methyl sulfoxide1-(Methylsulfinyl)butane1-METHANESULFINYLBUTANESulfoxide, butyl methyl1-Methanesulfinyl-butaneMethyl n-butyl sulfoxide1-(Methanesulfinyl)butane1-(Methylsulfinyl)butane #SCHEMBL185817
Show more names
Methylbutyl sulfoxide
SCHEMBL374113SCHEMBL27529446SCHEMBL28125003DTXSID40336416QPKGDTBMWSPKDT-UHFFFAOYSA-N
Database identifiers
- CAS
2976-98-9- PubChem CID
- 533669
- DTXSID
DTXSID40336416- Nikkaji
- J101.083B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 61.1
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 101 °C · 101 °C(Press: 8 Torr)
- Density
- 0.996 · 0.996±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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