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Molecule
Potassium Thioglycolate
CAS: 34452-51-2 · C2H4KO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 34452-51-2
- Molecular Formula
- C2H4KO2S
- Molecular Mass
- 131.22 g/mol
Identifiers
CAS Registry Number
34452-51-2
SMILES
O=C(O)CS.[K]
InChI Key
COUIVOHSBQUOCS-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2S.K/c3-2(4)1-5;/h5H,1H2,(H,3,4);
Names and Synonyms
- Potassium Thioglycolate Synonym
- Acetic acid, 2-mercapto-, potassium salt (1:1) Synonym
- Acetic acid, mercapto-, monopotassium salt Synonym
- Potassium thioglycolate Synonym
- Potassium 2-mercaptoacetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 131.22 g/mol | CAS Common Chemistry |
| 131.21699999999998 g/mol | RDKit | |
| 131.217 g/mol | RDKit | |
| 132.218 g/mol | chempirical lib | |
| Canonical SMILES | [K].O=C(O)CS | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2S.K/c3-2(4)1-5;/h5H,1H2,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=COUIVOHSBQUOCS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 226-229 °C | CAS Common Chemistry |
| Name | Potassium thioglycolate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | -0.38 | RDKit |
| Molar Refractivity | 27.2428 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 130.956907048 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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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MW = 131.22 g/mol. Edit any field — others recompute live.
