- InChI
- InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3
- InChI Key
- QMHIMXFNBOYPND-UHFFFAOYSA-N
- Formula
- C4H5NS
- SMILES
- Cc1cscn1
- Molecular Weight1
- 99.15
- CAS
- 693-95-8
- Other Names
-
- Thiazole, 4-methyl-
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization 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.
- Tboil : Normal Boiling Point Temperature (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 |
|---|---|---|---|
| ΔcH°liquid | -2958.80 ± 0.59 | kJ/mol | NIST |
| ΔfH°gas | 111.80 ± 0.88 | kJ/mol | NIST |
| ΔfH°liquid | 67.91 ± 0.75 | kJ/mol | NIST |
| ΔvapH° | [43.80; 43.80] | kJ/mol |
|
| ΔvapH° | 43.80 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 43.80 ± 0.20 | kJ/mol | NIST |
| log10WS | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.452 | Crippen Calculated Property | |
| McVol | 74.090 | ml/mol | McGowan Calculated Property |
| Inp | [777.00; 861.00] |
|
|
| Inp | 831.00 | NIST | |
| Inp | 831.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 802.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | Outlier 861.00 | NIST | |
| Inp | Outlier 861.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 828.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 798.00 | NIST | |
| Inp | 791.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 821.00 | NIST | |
| I | [1263.00; 1312.00] |
|
|
| I | 1288.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1280.00 | NIST | |
| I | 1284.00 | NIST | |
| I | 1265.00 | NIST | |
| I | 1265.00 | NIST | |
| I | 1297.00 | NIST | |
| I | Outlier 1312.00 | NIST | |
| I | 1297.00 | NIST | |
| I | 1287.00 | NIST | |
| I | 1304.00 | NIST | |
| I | 1304.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1279.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1274.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1272.00 | NIST | |
| I | 1286.00 | NIST | |
| I | 1284.00 | NIST | |
| I | 1263.00 | NIST | |
| I | 1265.00 | NIST | |
| I | 1287.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1278.00 | NIST | |
| Tboil | [406.36; 406.70] | K |
|
| Tboil | 406.70 | K | NIST |
| Tboil | 406.36 ± 0.25 | K | NIST |
| Tfus | 229.02 ± 0.05 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [8.90; 8.90] | kJ/mol | [229.10; 229.10] |
|
| ΔfusH | 8.90 | kJ/mol | 229.10 | NIST |
| ΔfusH | 8.90 | kJ/mol | 229.10 | NIST |
| ΔvapH | 40.80 | kJ/mol | 377.00 | NIST |
Similar Compounds
Find more compounds similar to 4-Methylthiazole.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.