Back to Search
Thioglycolic Acid
CAS: 68-11-1 | C2H4O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
68-11-1
Molecular Formula:
C2H4O2S
Molecular Mass:
92.12 g/mol
Names and Synonyms:
Thioglycolic Acid
Acetic acid, 2-mercapto-
Acetic acid, mercapto-
2-Mercaptoacetic acid
Glycolic acid, 2-thio-
Thiovanic acid
2-Thioglycolic acid
Thioglycolic acid
α-Mercaptoacetic acid
Mercaptoacetic acid
2-Mercaptoethanoic acid
Sulfhydrylacetic acid
NSC 1894
TGA
2-Sulfanylacetic acid
Identifiers:
SMILES:
O=C(O)CS
InChI:
InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)
Key Properties
Boiling Point
120 °C @ Press: 20 Torr
CAS Common Chemistry
Melting Point
-16.5 °C
CAS Common Chemistry
Density
1.33 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 92.12 g/mol | CAS Common Chemistry |
| 92.119 g/mol | RDKit | |
| 91.993200368 g/mol | RDKit | |
| Density | 1.33 g/cm³ | CAS Common Chemistry |
| 1.3253 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Thioglycolic_acid | CAS Common Chemistry |
| Boiling Point | 120 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CS | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=CWERGRDVMFNCDR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -16.5 °C | CAS Common Chemistry |
| Name | Thioglycolic acid | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 0.0008000000000000229 | RDKit |
| Molar Refractivity | 21.488799999999998 | RDKit |
