![Thiophene, 2-[(1-methylethyl)thio]-](/cid/20-707-4/Thiophene-2-1-methylethyl-thio.png "Thiophene, 2-[(1-methylethyl)thio]-")
- InChI
- InChI=1S/C7H10S2/c1-6(2)9-7-4-3-5-8-7/h3-6H,1-2H3
- InChI Key
- INLCSHFGQRKEKW-UHFFFAOYSA-N
- Formula
- C7H10S2
- SMILES
- CC(C)Sc1cccs1
- Molecular Weight1
- 158.28
- CAS
- 50878-65-4
- Other Names
-
- 2-(Isopropylthio)thiophene
- 2-(2-Thienyl-thio)-propane
- Thiophene, 2-(isopropylthio)-
- 2-(Isopropylsulfanyl)thiophene
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.2663 | Relay (1.0) Calculated Property | |
| ΔfG° | 113.33 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 42.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 53.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.249 | Crippen Calculated Property | |
| McVol | 122.730 | ml/mol | McGowan Calculated Property |
| Pc | 3138.10 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1137.00; 1162.00] |
|
|
| Inp | 1151.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1162.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Tboil | 469.60 | K | Relay (1.0) Calculated Property |
| Tc | 676.92 | K | Relay (1.0) Calculated Property |
| Tfus | 245.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.431 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2-[(1-methylethyl)thio]-.
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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