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Molecule
Ethanesulfonamide
CAS: 1520-70-3 · C2H7NO2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1520-70-3
- Molecular Formula
- C2H7NO2S
- Molecular Mass
- 109.15 g/mol
Identifiers
CAS Registry Number
1520-70-3
SMILES
CCS(N)(=O)=O
InChI Key
ZCRZCMUDOWDGOB-UHFFFAOYSA-N
InChI
InChI=1S/C2H7NO2S/c1-2-6(3,4)5/h2H2,1H3,(H2,3,4,5)
Names and Synonyms
- Ethanesulfonamide Synonym
- Ethanesulfonamide Synonym
- NSC 87899 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 109.15 g/mol | CAS Common Chemistry |
| 109.14999999999999 g/mol | RDKit | |
| 109.143 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(N)CC | CAS Common Chemistry |
| InChI | InChI=1S/C2H7NO2S/c1-2-6(3,4)5/h2H2,1H3,(H2,3,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=ZCRZCMUDOWDGOB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 58.8 °C | CAS Common Chemistry |
| Name | Ethanesulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 60.160000000000004 Ų | RDKit |
| 60.16 Ų | RDKit | |
| LogP | -0.7051999999999998 | RDKit |
| -0.7052 | RDKit | |
| Molar Refractivity | 23.648199999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 109.019749464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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 = 109.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H7NO2S.
