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6-Chloroimidazo[2,1-B]Thiazole
CAS: 23576-81-0 | C5H3ClN2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23576-81-0
Molecular Formula:
C5H3ClN2S
Molecular Mass:
158.61 g/mol
Names and Synonyms:
6-Chloroimidazo[2,1-B]Thiazole
Imidazo[2,1-b]thiazole, 6-chloro-
6-Chloroimidazo[2,1-b]thiazole
Identifiers:
SMILES:
Clc1cn2ccsc2n1
InChI:
InChI=1S/C5H3ClN2S/c6-4-3-8-1-2-9-5(8)7-4/h1-3H
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 | 158.61 g/mol | CAS Common Chemistry |
| 158.61299999999997 g/mol | RDKit | |
| 157.970546776 g/mol | RDKit | |
| Canonical SMILES | ClC=1N=C2SC=CN2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H3ClN2S/c6-4-3-8-1-2-9-5(8)7-4/h1-3H | CAS Common Chemistry |
| InChI Key | InChIKey=WOZMDYAJHVHPMD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 6-Chloroimidazo[2,1-b]thiazole | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.3 Ų | RDKit |
| LogP | 2.0492 | RDKit |
| Molar Refractivity | 38.07900000000001 | RDKit |
