- InChI
- InChI=1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3
- InChI Key
- KYLIZBIRMBGUOP-UHFFFAOYSA-N
- Formula
- C10H8OS3
- SMILES
- COc1ccc(-c2cc(=S)ss2)cc1
- Molecular Weight1
- 240.37
- CAS
- 532-11-6
- Other Names
-
- 3H-1,2-Dithiole-3-thione, 5-(p-methoxyphenyl)-
- Anethole trithione
- Anetholtrithion
- Felviten
- Heporal
- 5-(p-Methoxyphenyl)-1,2-dithiocyclopenten-3-thione
- 5-(p-Methoxyphenyl)-3H-1,2-dithiole-3-thione
- 3-(p-Methoxyphenyl)trithione
- Mucinol
- SKF 1717
- Sufralem
- Sulfarlem
- Sulfogal
- Sulfralem
- Tiopropen
- Tiotrifar
- Trithio
- Trithioanethole
- Trithio-(p-methoxyphenyl)propene
- 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 145.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | NIST |
| logPoct/wat | 4.215 | Crippen Calculated Property | |
| McVol | 163.460 | ml/mol | McGowan Calculated Property |
| Tboil | 641.38 | K | Relay (1.0) Calculated Property |
| Tfus | 381.95 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 24.39 | kJ/mol | 382.20 | NIST |
Similar Compounds
Find more compounds similar to 3H-1,2-Dithiole-3-thione, 5-(4-methoxyphenyl)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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