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Molecule
2-Ethoxythiazole
CAS: 15679-19-3 · C5H7NOS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 15679-19-3
- Molecular Formula
- C5H7NOS
- Molecular Mass
- 129.18 g/mol
Identifiers
CAS Registry Number
15679-19-3
SMILES
CCOc1nccs1
InChI Key
NDUWJHRKDYXRAD-UHFFFAOYSA-N
InChI
InChI=1S/C5H7NOS/c1-2-7-5-6-3-4-8-5/h3-4H,2H2,1H3
Names and Synonyms
- 2-Ethoxythiazole Synonym
- Thiazole, 2-ethoxy- Synonym
- 2-Ethoxythiazole Synonym
- 2-Ethoxy-1,3-thiazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.18 g/mol | CAS Common Chemistry |
| 129.184 g/mol | RDKit | |
| Canonical SMILES | N=1C=CSC1OCC | CAS Common Chemistry |
| InChI | InChI=1S/C5H7NOS/c1-2-7-5-6-3-4-8-5/h3-4H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NDUWJHRKDYXRAD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Ethoxythiazole | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 22.12 Ų | RDKit |
| 21.59 Ų | chempirical lib | |
| LogP | 1.5417999999999998 | RDKit |
| 1.5418 | RDKit | |
| Molar Refractivity | 33.282999999999994 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 129.024834844 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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20
0 ppm
| 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.
External Resources
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MW = 129.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H7NOS.
