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(±)-Tetramisole
CAS: 5036-02-2 | C11H12N2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5036-02-2
Molecular Formula:
C11H12N2S
Molecular Mass:
204.30 g/mol
Names and Synonyms:
(±)-Tetramisole
Imidazo[2,1-b]thiazole, 2,3,5,6-tetrahydro-6-phenyl-, (±)-
Imidazo[2,1-b]thiazole, 2,3,5,6-tetrahydro-6-phenyl-
2,3,5,6-Tetrahydro-6-phenylimidazo[2,1-b]thiazole
(±)-2,3,5,6-Tetrahydro-6-phenylimidazo[2,1-b]thiazole
dl-Tetramisole
(±)-Tetramisole
dl-Tetramisol
Nilverm base
Tetramisole
Tetramisol
dl-2,3,5,6-Tetrahydro-6-phenylimidazo(2,1-b)thiazole
6-Phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole
Duxamintic
Ashitetra
Identifiers:
SMILES:
c1ccc(C2CN3CCSC3=N2)cc1
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
Key Properties
Melting Point
90-92 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.30 g/mol | CAS Common Chemistry |
| 204.298 g/mol | RDKit | |
| 204.072119384 g/mol | RDKit | |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=HLFSDGLLUJUHTE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90-92 °C | CAS Common Chemistry |
| Name | (±)-Tetramisole | 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 |
| Molar Refractivity | 60.64900000000002 | RDKit |
