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Molecule
Tetramisole Hydrochloride
CAS: 5086-74-8 · C11H13ClN2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5086-74-8
- Molecular Formula
- C11H13ClN2S
- Molecular Mass
- 240.76 g/mol
Identifiers
CAS Registry Number
5086-74-8
SMILES
Cl.c1ccc(C2CN3CCSC3=N2)cc1
InChI Key
LAZPBGZRMVRFKY-UHFFFAOYSA-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
Names and Synonyms
- Tetramisole Hydrochloride Synonym
- (±)-Tetramisole hydrochloride Synonym
- Nilverm Synonym
- (±)-6-Phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole hydrochloride Synonym
- Imidazo[2,1-b]thiazole, 2,3,5,6-tetrahydro-6-phenyl-, hydrochloride (1:1) Synonym
- Nilverom 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 Synonym
- McN JR 8299 Synonym
- R 8299 Synonym
- Ripercol Synonym
- Tetramisole hydrochloride Synonym
- DL-Tetramisole hydrochloride Synonym
- Anthelvet Synonym
- Citarin Synonym
- Concurat Synonym
- Verminject Synonym
- Curaminth Synonym
- Tetraamisol hydrochloride Synonym
- RP 16535 Synonym
- 2,3,5,6-Tetrahydro-6-phenylimidazo[2,1-b]thiazole hydrochloride Synonym
- NSC 170985 Synonym
- NSC 215179 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 | CAS Common Chemistry |
| InChI Key | InChIKey=LAZPBGZRMVRFKY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 264-266 °C | CAS Common Chemistry |
| Name | Tetramisole 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
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 240.76 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H13ClN2S.
