Back to Search
Molecule
Pidotimod
CAS: 121808-62-6 · C9H12N2O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 121808-62-6
- Molecular Formula
- C9H12N2O4S
- Molecular Mass
- 244.27 g/mol
Identifiers
CAS Registry Number
121808-62-6
SMILES
O=C(O)[C@@H]1CSCN1C(=O)[C@@H]1CCC(O)=N1
InChI Key
UUTKICFRNVKFRG-WDSKDSINSA-N
InChI
InChI=1S/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1
Names and Synonyms
- Pidotimod Synonym
- 4-Thiazolidinecarboxylic acid, 3-[[(2S)-5-oxo-2-pyrrolidinyl]carbonyl]-, (4R)- Synonym
- 4-Thiazolidinecarboxylic acid, 3-[(5-oxo-2-pyrrolidinyl)carbonyl]-, [R-(R*,S*)]- Synonym
- (4R)-3-[[(2S)-5-Oxo-2-pyrrolidinyl]carbonyl]-4-thiazolidinecarboxylic acid Synonym
- Pidotimod Synonym
- Adimod Synonym
- Axil (pharmaceutical) Synonym
- Onaka Synonym
- Pigitil Synonym
- Polimod Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.27 g/mol | CAS Common Chemistry |
| 244.272 g/mol | RDKit | |
| 244.265 g/mol | chempirical lib | |
| Canonical SMILES | O=C(O)C1N(C(=O)C2NC(=O)CC2)CSC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UUTKICFRNVKFRG-WDSKDSINSA-N | CAS Common Chemistry |
| Melting Point | 194-198 °C (decomp) | CAS Common Chemistry |
| Name | Pidotimod | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 90.2 Ų | RDKit |
| LogP | 0.09139999999999943 | RDKit |
| 0.0914 | RDKit | |
| Molar Refractivity | 58.68060000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 244.051777864 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
Convert
Quick conversion
MW = 244.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12N2O4S.
