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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 Mass:
145.20 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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.20 g/mol | CAS Common Chemistry |
| 145.204 g/mol | RDKit | |
| 144.975776092 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_ethyl_xanthate | CAS Common Chemistry |
| Canonical SMILES | [Na].S=C(S)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C3H6OS2.Na/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6); | CAS Common Chemistry |
| InChI Key | InChIKey=SARKRSWCLHYVGQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium xanthate | CAS Common Chemistry |
| Sodium ethyl xanthate | CAS Common Chemistry | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 0.8568 | RDKit |
| Molar Refractivity | 38.96400000000001 | RDKit |
