- InChI
- InChI=1S/C4H5NS/c1-4-2-5-3-6-4/h2-3H,1H3
- InChI Key
- RLYUNPNLXMSXAX-UHFFFAOYSA-N
- Formula
- C4H5NS
- SMILES
- Cc1cncs1
- Molecular Weight1
- 99.15
- CAS
- 3581-89-3
- Other Names
-
- 5-Methylthiazole
- 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 | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.452 | Crippen Calculated Property | |
| McVol | 74.090 | ml/mol | McGowan Calculated Property |
| Inp | [814.00; 869.00] |
|
|
| Inp | 865.00 | NIST | |
| Inp | 865.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | 814.00 | NIST | |
| Inp | 814.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 865.00 | NIST | |
| Inp | 854.00 | NIST | |
| I | [1318.00; 1331.00] |
|
|
| I | 1331.00 | NIST | |
| I | 1318.00 | NIST | |
| I | 1318.00 | NIST | |
| I | 1324.00 | NIST | |
| I | 1318.00 | NIST | |
| Tfus | 232.74 ± 0.05 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [7.65; 7.65] | kJ/mol | [232.80; 232.80] |
|
| ΔfusH | 7.65 | kJ/mol | 232.80 | NIST |
| ΔfusH | 7.65 | kJ/mol | 232.80 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 414.70 | K | 99.30 | NIST |
Similar Compounds
Find more compounds similar to Thiazole, 5-methyl-.
Sources
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