Butane, 1-(ethylsulfinyl)-
Basic information
- CAS
2976-99-0- Standard SMILES
CCCCS(=O)CC- InChIKey
CYDQHOZLSSXJKU-UHFFFAOYSA-N- Molecular formula
- C6H14OS
- Average molar mass
- 134.24 g/mol
- Monoisotopic mass
- 134.07653624
Names & identifiers
- Preferred name
- Butane, 1-(ethylsulfinyl)-
- IUPAC
- 1-ethylsulfinylbutane
- English name
- Ethylbutyl sulfoxide
- Molecular formula
- C6H14OS
- Molecular weight
- 134.24
Names & synonyms
Butane, 1-(ethylsulfinyl)-2976-99-0Sulfoxide, butyl ethylButyl ethyl sulfoxideEthyl-n-butylsulfoxideDTXSID80336430RefChem:330504DTXCID80287519CYDQHOZLSSXJKU-UHFFFAOYSA-N1-ethylsulfinylbutane1-(ETHANESULFINYL)BUTANEethylbutylsulfoxide
Show more names
Ethylbutyl sulfoxideButylethyl sulfoxide(+/-)-n-butyl ethyl sulfoxide
1-(Ethylsulfinyl)butane #SCHEMBL185554SCHEMBL185695SCHEMBL779888
Database identifiers
- CAS
2976-99-0- PubChem CID
- 533730
- DTXSID
DTXSID80336430- Nikkaji
- J101.146D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.9
Physicochemical properties
- Boiling point
- 243.921 · 243.921±9.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.979 · 0.979±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Related reactions
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Compound notes
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