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Molecule
Potassium Amyl Xanthate
CAS: 2720-73-2 · C6H12KOS2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2720-73-2
- Molecular Formula
- C6H12KOS2
- Molecular Mass
- 203.39 g/mol
Identifiers
CAS Registry Number
2720-73-2
SMILES
CCCCCOC(=S)S.[K]
InChI Key
RKVMAMRYKCITAI-UHFFFAOYSA-N
InChI
InChI=1S/C6H12OS2.K/c1-2-3-4-5-7-6(8)9;/h2-5H2,1H3,(H,8,9);
Names and Synonyms
- Potassium Amyl Xanthate Common Name
- Carbonodithioic acid, O-pentyl ester, potassium salt (1:1) Synonym
- Carbonic acid, dithio-, O-pentyl ester, potassium salt Synonym
- Carbonodithioic acid, O-pentyl ester, potassium salt Synonym
- Xanthic acid, pentyl-, potassium salt Synonym
- Potassium n-amylxanthogenate Synonym
- Potassium amylxanthate Synonym
- Potassium pentyl xanthate Synonym
- Potassium amylxanthogenate Synonym
- Potassium pentyl xanthogenate Synonym
- Aeroxanthate 350 Synonym
- Amyl potassium xanthate Synonym
- Z 6 Synonym
- Z 6 (flotation agent) Synonym
- Cyanamic A 350 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 203.39 g/mol | CAS Common Chemistry |
| 203.39300000000003 g/mol | RDKit | |
| 203.393 g/mol | RDKit | |
| 204.387 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_amyl_xanthate | CAS Common Chemistry |
| Canonical SMILES | [K].S=C(S)OCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H12OS2.K/c1-2-3-4-5-7-6(8)9;/h2-5H2,1H3,(H,8,9); | CAS Common Chemistry |
| InChI Key | InChIKey=RKVMAMRYKCITAI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium amylxanthate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.0271000000000003 | RDKit |
| 2.0271 | RDKit | |
| Molar Refractivity | 52.815000000000026 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 202.996663684 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 203.39 g/mol. Edit any field — others recompute live.
