- InChI
- InChI=1S/C7H8OS2/c1-6(8)5-10-7-3-2-4-9-7/h2-4H,5H2,1H3
- InChI Key
- YZNDRLAITXPMSG-UHFFFAOYSA-N
- Formula
- C7H8OS2
- SMILES
- CC(=O)CSc1cccs1
- Molecular Weight1
- 172.27
- CAS
- 41444-33-1
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- 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 |
|---|---|---|---|
| ω | 0.3568 | Relay (1.0) Calculated Property | |
| ΔfG° | 15.60 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -55.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.429 | Crippen Calculated Property | |
| McVol | 124.300 | ml/mol | McGowan Calculated Property |
| Pc | 3761.03 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 524.07 | K | Relay (1.0) Calculated Property |
| Tc | 744.92 | K | Relay (1.0) Calculated Property |
| Tfus | 299.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.420 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Thiophene, 2-[(1-methylethyl)thio]-.](data:image/png;base64,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)
Find more compounds similar to (2-Thienylthio)acetone.
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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