2-(Methylsulphonyl)propane
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Basic information
- CAS
4853-74-1- Standard SMILES
CC(C)S(C)(=O)=O- InChIKey
VTWYQAQIXXAXOR-UHFFFAOYSA-N- Molecular formula
- C4H10O2S
- Average molar mass
- 122.19 g/mol
- Monoisotopic mass
- 122.04015056
Names & identifiers
- Preferred name
- 2-(Methylsulphonyl)propane
- IUPAC
- 2-methylsulfonylpropane
- English name
- ISOPROPYL METHYL SULFONE
- Molecular formula
- C4H10O2S
- Molecular weight
- 122.19
Names & synonyms
4853-74-12-(Methylsulphonyl)propaneIsopropyl methyl sulphoneDTXSID80197548RefChem:84781DTXCID40120039VTWYQAQIXXAXOR-UHFFFAOYSA-NIsopropyl Methyl Sulfone2-methylsulfonylpropane2-(Methylsulfonyl)propane2-METHANESULFONYLPROPANEMFCD00050415
Show more names
METHYL ISOPROPYL SULFONEisopropylsulfonylmethaneIsopropylMethylSulfone>Propane, 2-(methylsulfonyl)-
SCHEMBL928922-(Methylsulfonyl)propane #BS-23586I0484D91166i-propylmethylsulfoneisopropylmethylsulfoneFT-0713909
Database identifiers
- CAS
4853-74-1- PubChem CID
- 138372
- DTXSID
DTXSID80197548- Nikkaji
- J43.512K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- 16 °C · 16 °C
- Boiling point
- 238 °C · 238 °C
- Density
- 1.13 · 1.13
- refractive index
- 1.452 to · 1.4520 to 1.4550
- form
- clear liquid
- color
- Colorless to Almost colorless
- CAS DataBase Reference
- 4853 · 4853-74-1
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2930909899
Related reactions
2 records
Compound notes
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