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Sodium Thioglycolate
CAS: 367-51-1 | C2H4NaO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
367-51-1
Molecular Formula:
C2H4NaO2S
Molecular Weight:
115.109 g/mol
Names and Synonyms:
Sodium Thioglycolate
Sodium 2-mercaptoacetate
Sodium 2-sulfanylacetate
Sodium 2-mercaptoethanoate
Mercaptoacetic acid sodium salt
Erhavit D
Mollescal SF
Thioglycolic acid sodium salt
Sodium thioglycolate
Sodium mercaptoacetate
Acetic acid, mercapto-, monosodium salt
Acetic acid, 2-mercapto-, sodium salt (1:1)
Identifiers:
SMILES:
O=C(O)CS.[Na]
InChI:
InChI=1S/C2H4O2S.Na/c3-2(4)1-5;/h5H,1H2,(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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 115.109 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 114.98296964800001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.38 | RDKit |
| molecular_mass | 115.11 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=C(O)CS None | Legacy Database |
| cas-inchi | InChI=1S/C2H4O2S.Na/c3-2(4)1-5;/h5H,1H2,(H,3,4); None | Legacy Database |
| cas-inchi-key | InChIKey=OOSWXVPGXSAWRL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sodium thioglycolate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 27.2428 | RDKit |
