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Molecule
2-(Methylsulfonyl)Ethanol
CAS: 15205-66-0 · C3H8O3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15205-66-0
- Molecular Formula
- C3H8O3S
- Molecular Mass
- 124.16 g/mol
Identifiers
CAS Registry Number
15205-66-0
SMILES
CS(=O)(=O)CCO
InChI Key
KFTYFTKODBWKOU-UHFFFAOYSA-N
InChI
InChI=1S/C3H8O3S/c1-7(5,6)3-2-4/h4H,2-3H2,1H3
Names and Synonyms
- 2-(Methylsulfonyl)Ethanol Synonym
- Ethanol, 2-(methylsulfonyl)- Synonym
- 2-(Methylsulfonyl)ethanol Synonym
- 2-(Methylsulfonyl)ethyl alcohol Synonym
- 2-Hydroxyethyl methyl sulfone Synonym
- 2-(Methanesulfonyl)ethanol Synonym
- 2-Methanesulfonylethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 124.16 g/mol | CAS Common Chemistry |
| 124.161 g/mol | RDKit | |
| 124.154 g/mol | chempirical lib | |
| Boiling Point | 145 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(C)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C3H8O3S/c1-7(5,6)3-2-4/h4H,2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KFTYFTKODBWKOU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 26-28 °C | CAS Common Chemistry |
| Name | 2-(Methylsulfonyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| 54.37 Ų | RDKit | |
| LogP | -0.9766999999999999 | RDKit |
| -0.9767 | RDKit | |
| Molar Refractivity | 26.79659999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 124.019415116 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 124.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H8O3S.
