1-Propanesulfonic acid, ethyl ester
Basic information
- CAS
91284-43-4- Standard SMILES
CCCS(=O)(=O)OCC- InChIKey
DABYSJMCEKEQKF-UHFFFAOYSA-N- Molecular formula
- C5H12O3S
- Average molar mass
- 152.21 g/mol
- Monoisotopic mass
- 152.05071541
Names & identifiers
- Preferred name
- 1-Propanesulfonic acid, ethyl ester
- IUPAC
- ethyl propane-1-sulfonate
- English name
- BRN 5727719
- Molecular formula
- C5H12O3S
- Molecular weight
- 152.21
Names & synonyms
Ethyl 1-propanesulfonate91284-43-41-Propanesulfonic acid, ethyl esterBRN 5727719DTXSID90238476RefChem:234596DTXCID10160967DABYSJMCEKEQKF-UHFFFAOYSA-Nethyl propane-1-sulfonateBEG8BQR79LSCHEMBL952969ethyl (ethylmethane-sulfonate)
Show more names
Taurine Impurity 13Ethyl propyl sulfonate
SCHEMBL4813719SCHEMBL7350164SCHEMBL11197412MFCD01697633AKOS037622106G85749F556217
Database identifiers
- CAS
91284-43-4- PubChem CID
- 150333
- DTXSID
DTXSID90238476- UNII
- BEG8BQR79L
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Boiling point
- 245.046 · 245.046±9.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.099 · 1.099±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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