- InChI
- InChI=1S/C8H6S3/c1-3-7(9-5-1)11-8-4-2-6-10-8/h1-6H
- InChI Key
- AKYIWBKPINOXJY-UHFFFAOYSA-N
- Formula
- C8H6S3
- SMILES
- c1csc(Sc2cccs2)c1
- Molecular Weight1
- 198.34
- Other Names
-
- 2-(2-Thienylthio)thiophene
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 256.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 71.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | NIST |
| logPoct/wat | 3.961 | Crippen Calculated Property | |
| McVol | 133.710 | ml/mol | McGowan Calculated Property |
| Pc | 4442.59 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 547.84 | K | Relay (1.0) Calculated Property |
| Tc | 779.25 | K | Relay (1.0) Calculated Property |
| Tfus | 320.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.470 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate 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.
Similar Compounds
![Thiophene, 2-[(1-methylethyl)thio]-.](data:image/png;base64,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)
Find more compounds similar to 2-(2-THIENYLTHIO)THIOPHENE.
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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