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Molecule
Potassium Thioacetate
CAS: 10387-40-3 · C2H4KOS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10387-40-3
- Molecular Formula
- C2H4KOS
- Molecular Mass
- 115.22 g/mol
Identifiers
CAS Registry Number
10387-40-3
SMILES
CC(=O)S.[K]
InChI Key
SDJHDRMYZQFJJO-UHFFFAOYSA-N
InChI
InChI=1S/C2H4OS.K/c1-2(3)4;/h1H3,(H,3,4);
Names and Synonyms
- Potassium Thioacetate Synonym
- Ethanethioic acid, potassium salt (1:1) Synonym
- Acetic acid, thio-, potassium salt Synonym
- Ethanethioic acid, potassium salt Synonym
- Potassium thiolacetate Synonym
- Potassium thioacetate Synonym
- Potassium thioethanoate Synonym
- S-Potassium thioacetate Synonym
- Potassium ethanethioate Synonym
- MeCOSK Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.22 g/mol | CAS Common Chemistry |
| 115.21799999999999 g/mol | RDKit | |
| 115.218 g/mol | RDKit | |
| 116.219 g/mol | chempirical lib | |
| Density | 1.58 g/cm³ | CAS Common Chemistry |
| 1.58 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_thioacetate | CAS Common Chemistry |
| Canonical SMILES | [K].O=C(S)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4OS.K/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=SDJHDRMYZQFJJO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 173-176 °C | CAS Common Chemistry |
| Name | Potassium thioacetate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 0.08189999999999997 | RDKit |
| 0.0819 | RDKit | |
| Molar Refractivity | 25.420999999999992 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 114.961992428 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 115.22 g/mol; density = 1.580 g/mL. Edit any field — others recompute live.
