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Sulfate
CAS: 14808-79-8 | O4S-2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14808-79-8
Molecular Formula:
O4S-2
Molecular Weight:
96.06299999999999 g/mol
Names and Synonyms:
Sulfate
Sulfate (SO4S11-)
Sulfate anion(2-)
Sulfate dianion
Sulfate ion (SO42-)
Sulfate (ion 2-)
Sulfate anion
Sulphate
Sulfate(2-)
Sulfuric acid, ion(2-)
Sulfate ion
Sulfate
Identifiers:
SMILES:
O=S(=O)([O-])[O-]
InChI:
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 96.06299999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 95.95282663982002 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 80.26 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.3379999999999996 | RDKit |
| molecular_mass | 96.06 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sulfate None | Legacy Database |
| cas-canonical-smile | O=S(=O)([O-])[O-] None | Legacy Database |
| cas-inchi | InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2 None | Legacy Database |
| cas-inchi-key | InChIKey=QAOWNCQODCNURD-UHFFFAOYSA-L None | Legacy Database |
| cas-name | Sulfate None | Legacy Database |
| wikipedia-name | Sulfate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 10.4746 | RDKit |
