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Molecule
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
Identifiers
CAS Registry Number
1953-02-2
SMILES
CC(S)C(O)=NCC(=O)O
InChI Key
YTGJWQPHMWSCST-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)
Names and Synonyms
- Tiopronin Common Name
- Glycine, N-(2-mercapto-1-oxopropyl)- Synonym
- Glycine, N-(2-mercaptopropionyl)- Synonym
- N-(2-Mercapto-1-oxopropyl)glycine Synonym
- Thiola Synonym
- (2-Mercaptopropionyl)glycine Synonym
- α-Mercaptopropionylglycine Synonym
- Mercaptopropionylglycine Synonym
- N-(2-Mercaptopropionyl)glycine Synonym
- Tiopronin Synonym
- Meprin (detoxicant) Synonym
- Mucolysin Synonym
- (2-Mercaptopropionamido)acetic acid Synonym
- α-Mercaptopropionyglycine Synonym
- Thiopronin Synonym
- Thiopronine Synonym
- MPG Synonym
- Hepadigest Synonym
- Sutilan Cusi Synonym
- DL-(α-Mercaptopropionyl)glycine Synonym
- (±)-Tiopronin Synonym
- MPG (hepatoprotective) Synonym
- Thiosol Synonym
- Acadione Synonym
- BRN 1859822 Synonym
- Sutilan Synonym
- Tiopronino Synonym
- Tiopronine Synonym
- Thiolpropionamidoacetic acid Synonym
- Vincol Synonym
- Tioproninum Synonym
- Epatiol Synonym
- Capen Synonym
- Tioglis Synonym
- Captimer Synonym
- CCRIS 1935 Synonym
- 2-(2-Sulfanylpropanamido)acetic acid Synonym
- 2-(2-Sulfanylpropanoylamino)acetic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.20 g/mol | CAS Common Chemistry |
| 163.198 g/mol | RDKit | |
| 163.191 g/mol | chempirical lib | |
| 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 |
| 0.3458 | RDKit | |
| Molar Refractivity | 41.01460000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 163.030314148 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 163.20 g/mol. Edit any field — others recompute live.
