- InChI
- InChI=1S/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3
- InChI Key
- MOMFXATYAINJML-UHFFFAOYSA-N
- Formula
- C5H5NOS
- SMILES
- CC(=O)c1nccs1
- Molecular Weight1
- 127.16
- CAS
- 24295-03-2
- Other Names
-
- Ethanone, 1-(2-thiazolyl)-
- Ketone, methyl 2-thiazolyl
- 1-(1,3-Thiazol-2-yl)ethanone
- 2-Acetylthiazol
- Thiazole, 2-acetyl
- 1-(2-Thiazolyl)ethanone
- Methyl 2-thiazolyl ketone
- 1-(thiazol-2-yl)ethan-1-one
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -1.65 | Crippen Calculated Property | |
| logPoct/wat | 1.346 | Crippen Calculated Property | |
| McVol | 89.750 | ml/mol | McGowan Calculated Property |
| Inp | [973.00; 1064.00] |
|
|
| Inp | Outlier 1064.00 | NIST | |
| Inp | 1035.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | Outlier 1064.00 | NIST | |
| Inp | 1019.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1036.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Inp | 1027.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 1027.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1035.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1031.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 1031.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | Outlier 1064.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 979.00 | NIST | |
| I | [1596.00; 1674.00] |
|
|
| I | 1652.00 | NIST | |
| I | 1674.00 | NIST | |
| I | 1637.00 | NIST | |
| I | 1644.00 | NIST | |
| I | 1652.00 | NIST | |
| I | 1635.00 | NIST | |
| I | 1654.00 | NIST | |
| I | 1654.00 | NIST | |
| I | 1660.00 | NIST | |
| I | Outlier 1596.00 | NIST | |
| I | 1634.00 | NIST | |
| I | 1667.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1655.00 | NIST | |
| I | 1647.00 | NIST | |
| I | 1650.00 | NIST | |
| I | 1639.00 | NIST | |
| I | 1640.00 | NIST | |
| I | 1661.00 | NIST | |
| I | 1610.00 | NIST | |
| I | 1615.00 | NIST | |
| I | 1620.00 | NIST | |
| I | 1646.00 | NIST | |
| I | 1615.00 | NIST | |
| I | 1651.00 | NIST | |
| I | 1624.00 | NIST | |
| I | 1634.00 | NIST | |
| I | 1653.00 | NIST | |
| I | 1641.00 | NIST | |
| I | 1623.00 | NIST | |
| I | 1650.00 | NIST | |
| I | Outlier 1597.00 | NIST | |
| I | 1641.00 | NIST | |
| I | 1643.00 | NIST | |
| I | 1639.00 | NIST | |
| I | 1646.00 | NIST | |
| I | 1624.00 | NIST | |
| I | 1665.00 | NIST | |
| I | 1643.00 | NIST | |
| I | 1652.00 | NIST | |
| I | 1635.00 | NIST | |
| I | 1634.00 | NIST | |
| I | 1647.00 | NIST | |
| I | 1661.00 | NIST | |
| I | 1615.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 363.20 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to 2-Acetylthiazole.
Sources
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