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Molecule
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
Identifiers
CAS Registry Number
23576-81-0
SMILES
Clc1cn2ccsc2n1
InChI Key
WOZMDYAJHVHPMD-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClN2S/c6-4-3-8-1-2-9-5(8)7-4/h1-3H
Names and Synonyms
- 6-Chloroimidazo[2,1-B]Thiazole Systematic Name
- Imidazo[2,1-b]thiazole, 6-chloro- Synonym
- 6-Chloroimidazo[2,1-b]thiazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.61 g/mol | CAS Common Chemistry |
| 158.61299999999997 g/mol | RDKit | |
| 158.613 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 |
| 2 | 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 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 157.970546776 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 158.61 g/mol. Edit any field — others recompute live.
