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1,1′-[Methylenebis(Sulfonyl)]Bis[Ethene]
CAS: 3278-22-6 | C5H8O4S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3278-22-6
Molecular Formula:
C5H8O4S2
Molecular Mass:
196.25 g/mol
Names and Synonyms:
1,1′-[Methylenebis(Sulfonyl)]Bis[Ethene]
Ethene, 1,1′-[methylenebis(sulfonyl)]bis-
Methane, bis(vinylsulfonyl)-
1,1′-[Methylenebis(sulfonyl)]bis[ethene]
1,1-Bis(vinylsulfonyl)methane
Di(vinylsulfonyl)methane
Bis(vinylsulfonyl)methane
1-(Ethenylsulfonylmethylsulfonyl)ethene
(Ethenesulfonyl)methanesulfonylethene
Identifiers:
SMILES:
C=CS(=O)(=O)CS(=O)(=O)C=C
InChI:
InChI=1S/C5H8O4S2/c1-3-10(6,7)5-11(8,9)4-2/h3-4H,1-2,5H2
Key Properties
Melting Point
59-61 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.25 g/mol | CAS Common Chemistry |
| 196.24899999999997 g/mol | RDKit | |
| 195.986400736 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(C=C)CS(=O)(=O)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C5H8O4S2/c1-3-10(6,7)5-11(8,9)4-2/h3-4H,1-2,5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IJHIIHORMWQZRQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 59-61 °C | CAS Common Chemistry |
| Name | 1,1′-[Methylenebis(sulfonyl)]bis[ethene] | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 68.28 Ų | RDKit |
| LogP | 0.06050000000000022 | RDKit |
| Molar Refractivity | 43.100600000000014 | RDKit |
