- InChI
- InChI=1S/C6H8S2/c1-4-3-8-6(7)5(4)2/h3,7H,1-2H3
- InChI Key
- QHTDBIYIHXBEQY-UHFFFAOYSA-N
- Formula
- C6H8S2
- SMILES
- Cc1csc(S)c1C
- Molecular Weight1
- 144.26
- CAS
- 153001-04-8
- 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 | 0.3268 | Relay (1.0) Calculated Property | |
| ΔfG° | 99.26 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 64.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 60.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.654 | Crippen Calculated Property | |
| McVol | 108.640 | ml/mol | McGowan Calculated Property |
| Pc | 4490.58 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1193.50; 1193.50] |
|
|
| Inp | 1193.50 | NIST | |
| Inp | 1193.50 | NIST | |
| Tboil | 475.42 | K | Relay (1.0) Calculated Property |
| Tc | 722.69 | K | Relay (1.0) Calculated Property |
| Tfus | 325.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.366 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dimethylthiophene-2-thiol.
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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