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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 |