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Molecule
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
Identifiers
CAS Registry Number
140-90-9
SMILES
CCOC(=S)S.[Na]
InChI Key
SARKRSWCLHYVGQ-UHFFFAOYSA-N
InChI
InChI=1S/C3H6OS2.Na/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);
Names and Synonyms
- Sodium Ethyl Xanthate Synonym
- Carbonodithioic acid, O-ethyl ester, sodium salt (1:1) Synonym
- Carbonic acid, dithio-, O-ethyl ester, sodium salt Synonym
- Carbonodithioic acid, O-ethyl ester, sodium salt Synonym
- Xanthic acid, ethyl-, sodium salt Synonym
- Ethylxanthic acid sodium salt Synonym
- Sodium ethylxanthate Synonym
- Sodium ethyl xanthogenate Synonym
- Sodium xanthate Synonym
- Sodium xanthogenate Synonym
- Sodium O-ethyl xanthate Synonym
- Aeroxanthate 325 Synonym
- Z 4 (flotation agent) Synonym
- Z 4 Synonym
- Sodium O-ethyl dithiocarbonate Synonym
- O-Ethyl sodium dithiocarbonate Synonym
- Aero 325 Synonym
- SEX (flotation agent) Synonym
- SEX Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.20 g/mol | CAS Common Chemistry |
| 145.204 g/mol | RDKit | |
| 146.198 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 144.975776092 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 145.20 g/mol. Edit any field — others recompute live.
