- InChI
- InChI=1S/C7H8O2S/c1-5-3-6(8-2)4-7(10)9-5/h3-4H,1-2H3
- InChI Key
- PVBKLSUHIMQNMY-UHFFFAOYSA-N
- Formula
- C7H8O2S
- SMILES
- COc1cc(C)oc(=S)c1
- Molecular Weight1
- 156.20
- CAS
- 52911-98-5
- Other Names
-
- 6-Methyl-4-methoxy-2H-pyran-2-thione
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -6.65 | Crippen Calculated Property | |
| logPoct/wat | 2.326 | Crippen Calculated Property | |
| McVol | 113.820 | ml/mol | McGowan Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 130.50 ± 5.90 | kJ/mol | 408.50 | NIST |
| ΔvapH | 108.90 | kJ/mol | 408.00 | NIST |
Similar Compounds
Find more compounds similar to 4-Methoxy-6-methyl-2-thiopyrone.
Sources
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