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Tiopronin
CAS: 1953-02-2 | C5H9NO3S
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1953-02-2
Molecular Formula:
C5H9NO3S
Molecular Mass:
163.20 g/mol
Names and Synonyms:
Tiopronin
Glycine, N-(2-mercapto-1-oxopropyl)-
Glycine, N-(2-mercaptopropionyl)-
N-(2-Mercapto-1-oxopropyl)glycine
Thiola
(2-Mercaptopropionyl)glycine
α-Mercaptopropionylglycine
Mercaptopropionylglycine
N-(2-Mercaptopropionyl)glycine
Tiopronin
Meprin (detoxicant)
Mucolysin
(2-Mercaptopropionamido)acetic acid
α-Mercaptopropionyglycine
Thiopronin
Thiopronine
MPG
Hepadigest
Sutilan Cusi
DL-(α-Mercaptopropionyl)glycine
(±)-Tiopronin
MPG (hepatoprotective)
Thiosol
Acadione
BRN 1859822
Sutilan
Tiopronino
Tiopronine
Thiolpropionamidoacetic acid
Vincol
Tioproninum
Epatiol
Capen
Tioglis
Captimer
CCRIS 1935
2-(2-Sulfanylpropanamido)acetic acid
2-(2-Sulfanylpropanoylamino)acetic acid
Identifiers:
SMILES:
CC(S)C(O)=NCC(=O)O
InChI:
InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)
Key Properties
Melting Point
96 °C
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 | 163.20 g/mol | CAS Common Chemistry |
| 163.198 g/mol | RDKit | |
| 163.030314148 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tiopronin | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CNC(=O)C(S)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=YTGJWQPHMWSCST-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 96 °C | CAS Common Chemistry |
| Name | Tiopronin | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 69.89 Ų | RDKit |
| LogP | 0.34579999999999994 | RDKit |
| Molar Refractivity | 41.01460000000001 | RDKit |
