Back to Search
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 Weight:
115.21799999999999 g/mol
Names and Synonyms:
Potassium Thioacetate
Ethanethioic acid, potassium salt (1:1)
Acetic acid, thio-, potassium salt
Ethanethioic acid, potassium salt
Potassium thiolacetate
Potassium thioacetate
Potassium thioethanoate
S-Potassium thioacetate
Potassium ethanethioate
MeCOSK
Identifiers:
SMILES:
CC(=O)S.[K]
InChI:
InChI=1S/C2H4OS.K/c1-2(3)4;/h1H3,(H,3,4);
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 115.22 g/mol | Legacy Database |
| density | 1.58 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Potassium_thioacetate None | Legacy Database |
| cas-canonical-smile | [K].O=C(S)C None | Legacy Database |
| cas-density | 1.58 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C2H4OS.K/c1-2(3)4;/h1H3,(H,3,4); None | Legacy Database |
| cas-inchi-key | InChIKey=SDJHDRMYZQFJJO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 173-176 °C None | Legacy Database |
| cas-name | Potassium thioacetate None | Legacy Database |
| wikipedia-name | Potassium thioacetate None | Legacy Database |
| LogP | 0.08189999999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 115.21799999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 114.961992428 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 17.07 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.420999999999992 | RDKit |
