- InChI
- InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3
- InChI Key
- UWSONZCNXUSTKW-UHFFFAOYSA-N
- Formula
- C5H7NS
- SMILES
- Cc1ncsc1C
- Molecular Weight1
- 113.18
- CAS
- 3581-91-7
- Other Names
-
- 4,5-Dimethylthiazole
- 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 | -1.95 | Crippen Calculated Property | |
| logPoct/wat | 1.760 | Crippen Calculated Property | |
| McVol | 88.180 | ml/mol | McGowan Calculated Property |
| Inp | [906.00; 951.00] |
|
|
| Inp | 941.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 936.00 | NIST | |
| Inp | 907.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 906.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 906.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 929.00 | NIST | |
| Inp | 909.00 | NIST | |
| Inp | 907.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 907.00 | NIST | |
| Inp | 929.00 | NIST | |
| I | [1324.00; 1409.00] |
|
|
| I | Outlier 1324.00 | NIST | |
| I | 1376.00 | NIST | |
| I | 1374.00 | NIST | |
| I | 1374.00 | NIST | |
| I | 1372.00 | NIST | |
| I | 1409.00 | NIST | |
| I | 1409.00 | NIST | |
| I | 1377.00 | NIST | |
| I | 1378.00 | NIST | |
| I | 1360.00 | NIST | |
| I | 1341.00 | NIST | |
| I | 1371.00 | NIST | |
| I | 1359.00 | NIST | |
| I | 1372.00 | NIST | |
| I | 1379.00 | NIST | |
| I | 1381.00 | NIST | |
| I | 1370.00 | NIST | |
| I | 1379.00 | NIST | |
| I | 1378.00 | NIST | |
| I | 1359.00 | NIST | |
| I | 1379.00 | NIST | |
| I | Outlier 1324.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 431.20 | K | 98.90 | NIST |
Similar Compounds
Find more compounds similar to Thiazole, 4,5-dimethyl-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.