- InChI
- InChI=1S/C6H8S2/c1-5-3-4-6(7-2)8-5/h3-4H,1-2H3
- InChI Key
- VSUGUKXAAPOFPQ-UHFFFAOYSA-N
- Formula
- C6H8S2
- SMILES
- CSc1ccc(C)s1
- Molecular Weight1
- 144.26
- CAS
- 40990-29-2
- Other Names
-
- Thiophene,2-methyl-5-(methylthiol)-
- 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 | 0.2765 | Relay (1.0) Calculated Property | |
| ΔfG° | 106.04 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 74.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 56.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 ± 0.05 | eV | NIST |
| log10WS | -3.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.778 | Crippen Calculated Property | |
| McVol | 108.640 | ml/mol | McGowan Calculated Property |
| Pc | 3873.34 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 473.97 | K | Relay (1.0) Calculated Property |
| Tc | 671.76 | K | Relay (1.0) Calculated Property |
| Tfus | 255.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.382 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![2-Methyl-3[(2-methyl-3-thienyl)dithio]furan.](data:image/png;base64,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)
Find more compounds similar to Thiophene,2-methyl-5-(methylthio)-.
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- Crippen Method
- McGowan Method
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