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Molecule
Levamisole Hydrochloride
CAS: 16595-80-5 · C11H13ClN2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16595-80-5
- Molecular Formula
- C11H13ClN2S
- Molecular Mass
- 240.76 g/mol
Identifiers
CAS Registry Number
16595-80-5
SMILES
Cl.c1ccc([C@H]2CN3CCSC3=N2)cc1
InChI Key
LAZPBGZRMVRFKY-HNCPQSOCSA-N
InChI
InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H/t10-;/m1./s1
Names and Synonyms
- Levamisole Hydrochloride Common Name
- Imidazo[2,1-b]thiazole, 2,3,5,6-tetrahydro-6-phenyl-, hydrochloride (1:1), (6S)- Synonym
- Imidazo[2,1-b]thiazole, 2,3,5,6-tetrahydro-6-phenyl-, monohydrochloride, (S)- Synonym
- Imidazo[2,1-b]thiazole, 2,3,5,6-tetrahydro-6-phenyl-, monohydrochloride, (-)- Synonym
- Imidazo[2,1-b]thiazole, 2,3,5,6-tetrahydro-6-phenyl-, monohydrochloride, (6S)- Synonym
- l-Tetramisole hydrochloride Synonym
- Decaris Synonym
- Levamisole hydrochloride Synonym
- Tramisol Synonym
- Tramisole Synonym
- Levomysol hydrochloride Synonym
- Ripercol L Synonym
- Citarin L Synonym
- KW 2LE-T Synonym
- (-)-Levamisole hydrochloride Synonym
- L-Narpenol Synonym
- Dekaris Synonym
- Nilverm forte Synonym
- Meglum Synonym
- Solaskil Synonym
- Ergamisole Synonym
- Levadin Synonym
- R 12654 Synonym
- Levasole Synonym
- Spartakon L Synonym
- Levacide Synonym
- Nemicide Synonym
- Ascaridil Synonym
- Ergamisol Synonym
- NSC 177023 Synonym
- Century-Ace Synonym
- (-)-Tetramisole hydrochloride Synonym
- Niratil Synonym
- (7S)-7-Phenyl-4-thia-1,6-diazabicyclo[3.3.0]oct-5-ene hydrochloride Synonym
- (6S)-6-Phenyl-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazole hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.76 g/mol | CAS Common Chemistry |
| 240.759 g/mol | RDKit | |
| 240.749 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N1=C2SCCN2CC1C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H/t10-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=LAZPBGZRMVRFKY-HNCPQSOCSA-N | CAS Common Chemistry |
| Melting Point | 227-229 °C | CAS Common Chemistry |
| Name | Levamisole hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 2.5679 | RDKit |
| Molar Refractivity | 67.89700000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3636 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 240.048797096 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| 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.
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MW = 240.76 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H13ClN2S.
