- InChI
- InChI=1S/C6H8N2S/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3
- InChI Key
- PPPFFGVGWFKTHX-UHFFFAOYSA-N
- Formula
- C6H8N2S
- SMILES
- CSc1nccnc1C
- Molecular Weight1
- 140.21
- CAS
- 2882-20-4
- Other Names
-
- 2-Methyl-3-(methylthio)pyrazine
- 2-Methyl-3-methylmercaptopyrazine
- 2-Methylthio-3-methylpyrazine
- 3-Methyl-2-methylthiopyrazine
- Methylmethylthiopyrazine
- 2-Methylmercapto-3-methylpyrazine
- 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.
- I : 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 | 0.3458 | Relay (... Calculated Property | |
| ΔfG° | 214.31 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 154.74 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 64.32 | kJ/mol | Relay (... Calculated Property |
| IE | 8.50 | eV | Relay (... Calculated Property |
| log10WS | -0.52 | Relay (... Calculated Property | |
| logPoct/wat | 1.507 | Crippen Calculated Property | |
| McVol | 107.950 | ml/mol | McGowan Calculated Property |
| Pc | 4704.35 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1145.00; 1151.00] |
|
|
| Inp | 1145.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1145.00 | NIST | |
| I | [1616.00; 1616.00] |
|
|
| I | 1616.00 | NIST | |
| I | 1616.00 | NIST | |
| I | 1616.00 | NIST | |
| Tboil | 494.57 | K | Relay (... Calculated Property |
| Tc | 720.18 | K | Relay (... Calculated Property |
| Tfus | 262.51 | K | Relay (... Calculated Property |
| Vc | 0.382 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazine, 2-methyl-3-(methylthio)-.
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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