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Molecule
Ethylene Sulfite
CAS: 3741-38-6 · C2H4O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3741-38-6
- Molecular Formula
- C2H4O3S
- Molecular Mass
- 108.12 g/mol
Identifiers
CAS Registry Number
3741-38-6
SMILES
O=S1OCCO1
InChI Key
WDXYVJKNSMILOQ-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O3S/c3-6-4-1-2-5-6/h1-2H2
Names and Synonyms
- Ethylene Sulfite Common Name
- 1,3,2-Dioxathiolane, 2-oxide Synonym
- Ethylene glycol, cyclic sulfite Synonym
- Ethylene sulfite Synonym
- NSC 3225 Synonym
- Glycol sulfite Synonym
- Cyclic ethylene sulfite Synonym
- 1,2-Ethylene sulfite Synonym
- 1,3-Dioxa-2-thiacyclopentane oxide Synonym
- 1,3,2λ4-Dioxathiolan-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 108.12 g/mol | CAS Common Chemistry |
| 108.118 g/mol | RDKit | |
| 108.111 g/mol | chempirical lib | |
| Density | 1.44 g/cm³ | CAS Common Chemistry |
| 1.4375 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 173 °C | CAS Common Chemistry |
| Canonical SMILES | O=S1OCCO1 | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O3S/c3-6-4-1-2-5-6/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WDXYVJKNSMILOQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -11 °C | CAS Common Chemistry |
| Name | Ethylene sulfite | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | -0.3881 | RDKit |
| Molar Refractivity | 20.046399999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 107.988114988 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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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Quick conversion
MW = 108.12 g/mol; density = 1.440 g/mL. Edit any field — others recompute live.
