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Molecule
Levamisole
CAS: 14769-73-4 · C11H12N2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14769-73-4
- Molecular Formula
- C11H12N2S
- Molecular Mass
- 204.30 g/mol
Identifiers
CAS Registry Number
14769-73-4
SMILES
c1ccc([C@H]2CN3CCSC3=N2)cc1
InChI Key
HLFSDGLLUJUHTE-SNVBAGLBSA-N
InChI
InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1
Names and Synonyms
- Levamisole Common Name
- Imidazo[2,1-b]thiazole, 2,3,5,6-tetrahydro-6-phenyl-, (6S)- Synonym
- Imidazo[2,1-b]thiazole, 2,3,5,6-tetrahydro-6-phenyl-, (S)- Synonym
- (6S)-2,3,5,6-Tetrahydro-6-phenylimidazo[2,1-b]thiazole Synonym
- (-)-Tetramisole Synonym
- Levamisole Synonym
- l-2,3,5,6-Tetrahydro-6-phenylimidazo[2,1-b]thiazole Synonym
- Levomysol Synonym
- (-)-2,3,5,6-Tetrahydro-6-phenylimidazo[2.1-b]thiazole Synonym
- Ketrax Synonym
- Levamisol Synonym
- l-Tetramisole Synonym
- L-Tetramisole Synonym
- Vermisol 150 Synonym
- Lepuron Synonym
- (S)-(-)-Levamisole Synonym
- Wormicid Synonym
- Totalon Synonym
- Levovermax Synonym
- Levipor Synonym
- Anthelsol Synonym
- Levomol Synonym
- 5: PN: WO2015086738 SEQID: 8 claimed sequence Synonym
- Nilverm LV Synonym
- (S)-6-Phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole Synonym
- (6S)-6-Phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole Synonym
- (6S)-6-Phenyl-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.30 g/mol | CAS Common Chemistry |
| 204.298 g/mol | RDKit | |
| 204.291 g/mol | chempirical lib | |
| Canonical SMILES | N1=C2SCCN2CC1C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HLFSDGLLUJUHTE-SNVBAGLBSA-N | CAS Common Chemistry |
| Melting Point | 60-61.5 °C | CAS Common Chemistry |
| Name | Levamisole | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 15.6 Ų | RDKit |
| LogP | 2.1460999999999997 | RDKit |
| 2.1461 | RDKit | |
| 2.31 | chempirical lib | |
| Molar Refractivity | 60.64900000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3636 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 204.072119384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 204.30 g/mol. Edit any field — others recompute live.
