- InChI
- InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3
- InChI Key
- BAMPVSWRQZNDQC-UHFFFAOYSA-N
- Formula
- C6H9NS
- SMILES
- Cc1nc(C)c(C)s1
- Molecular Weight1
- 127.21
- CAS
- 13623-11-5
- Other Names
-
- 2,4,5-Trimethylthiazole
- Trimethylthiazole
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -2.42 | Crippen Calculated Property | |
| logPoct/wat | 2.068 | Crippen Calculated Property | |
| McVol | 102.270 | ml/mol | McGowan Calculated Property |
| Inp | [965.00; 1028.00] |
|
|
| Inp | 997.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | Outlier 1028.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 1000.00 | NIST | |
| I | [1358.00; 1398.00] |
|
|
| I | 1380.00 | NIST | |
| I | 1380.00 | NIST | |
| I | 1380.00 | NIST | |
| I | 1362.00 | NIST | |
| I | 1378.00 | NIST | |
| I | 1366.00 | NIST | |
| I | 1377.00 | NIST | |
| I | 1385.00 | NIST | |
| I | 1387.00 | NIST | |
| I | 1380.00 | NIST | |
| I | 1390.00 | NIST | |
| I | 1358.00 | NIST | |
| I | 1362.00 | NIST | |
| I | 1390.00 | NIST | |
| I | 1377.00 | NIST | |
| I | 1398.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1398.00 | NIST | |
| I | 1367.00 | NIST | |
| I | 1370.00 | NIST | |
| I | 1380.00 | NIST | |
| I | 1367.00 | NIST | |
| I | 1358.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1362.00 | NIST | |
| I | 1387.00 | NIST | |
| Tfus | 240.69 ± 0.05 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [9.00; 9.00] | kJ/mol | [240.70; 240.70] |
|
| ΔfusH | 9.00 | kJ/mol | 240.70 | NIST |
| ΔfusH | 9.00 | kJ/mol | 240.70 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 439.70 | K | 95.70 | NIST |
Similar Compounds
Find more compounds similar to Thiazole, 2,4,5-trimethyl-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.