- InChI
- InChI=1S/C6H6OS/c1-5-2-3-8-6(5)4-7/h2-4H,1H3
- InChI Key
- BSQKBHXYEKVKMN-UHFFFAOYSA-N
- Formula
- C6H6OS
- SMILES
- Cc1ccsc1C=O
- Molecular Weight1
- 126.18
- CAS
- 5834-16-2
- Other Names
-
- 3-Methylthiophene-2-carboxaldehyde
- 3-Methylthiophene-2-aldehyde
- 2-Thiophenecarboxaldehyde, 3-methyl-
- 3-Methyl-2-thiophenecarbaldehyde
- 2-Formyl-3-methylthiophene
- 3-Methyl-2-carboxaldehyde-thiophene
- 3-Methyl-2-formylthiophene
- 3-Methyl-2-thiophencarboxaldehyde
- 3-Methylthiophen-2-carboxaldehyde
- Thiophene, 3-Methyl, 2-formyl
- 3-Methylthiophene-2-carbaldehyde
- 3-Methyl-2-thiophenecarboxyaldehyde
- ΔvapH° : Enthalpy of vaporization at standard conditions (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.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔvapH° | 56.20 ± 1.20 | kJ/mol | NIST |
| log10WS | -1.95 | Crippen Calculated Property | |
| logPoct/wat | 1.869 | Crippen Calculated Property | |
| McVol | 93.860 | ml/mol | McGowan Calculated Property |
| Inp | [1081.00; 1140.00] |
|
|
| Inp | 1086.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1081.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1126.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1109.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1104.00 | NIST | |
| I | [1761.00; 1815.00] |
|
|
| I | 1761.00 | NIST | |
| I | 1797.00 | NIST | |
| I | 1765.00 | NIST | |
| I | 1813.00 | NIST | |
| I | 1814.00 | NIST | |
| I | 1815.00 | NIST |
Similar Compounds
Find more compounds similar to 3-Methyl-2-thiophenecarboxaldehyde.
Sources
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