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Sodium Ethyl Xanthate
CAS: 140-90-9 | C3H6NaOS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
140-90-9
Molecular Formula:
C3H6NaOS2
Molecular Weight:
145.204 g/mol
Names and Synonyms:
Sodium Ethyl Xanthate
Carbonodithioic acid, O-ethyl ester, sodium salt (1:1)
Carbonic acid, dithio-, O-ethyl ester, sodium salt
Carbonodithioic acid, O-ethyl ester, sodium salt
Xanthic acid, ethyl-, sodium salt
Ethylxanthic acid sodium salt
Sodium ethylxanthate
Sodium ethyl xanthogenate
Sodium xanthate
Sodium xanthogenate
Sodium O-ethyl xanthate
Aeroxanthate 325
Z 4 (flotation agent)
Z 4
Sodium O-ethyl dithiocarbonate
O-Ethyl sodium dithiocarbonate
Aero 325
SEX (flotation agent)
SEX
Identifiers:
SMILES:
CCOC(=S)S.[Na]
InChI:
InChI=1S/C3H6OS2.Na/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);
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 | 145.204 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 144.975776092 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 9.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.8568 | RDKit |
| molecular_mass | 145.20 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sodium_ethyl_xanthate None | Legacy Database |
| cas-canonical-smile | [Na].S=C(S)OCC None | Legacy Database |
| cas-inchi | InChI=1S/C3H6OS2.Na/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6); None | Legacy Database |
| cas-inchi-key | InChIKey=SARKRSWCLHYVGQ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sodium xanthate None | Legacy Database |
| wikipedia-name | Sodium ethyl xanthate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.96400000000001 | RDKit |
