- InChI
- InChI=1S/C10H8N2S/c1-2-4-9(5-3-1)13-10-8-11-6-7-12-10/h1-8H
- InChI Key
- VAUCOCSGTRUZBW-UHFFFAOYSA-N
- Formula
- C10H8N2S
- SMILES
- c1ccc(Sc2cnccn2)cc1
- Molecular Weight1
- 188.25
- Other Names
-
- (Phenylthio)pyrazine
- 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 | 0.3452 | Relay (1.0) Calculated Property | |
| ΔfG° | 323.04 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 334.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.628 | Crippen Calculated Property | |
| McVol | 140.550 | ml/mol | McGowan Calculated Property |
| Pc | 4670.13 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1606.00; 1606.00] |
|
|
| Inp | 1606.00 | NIST | |
| Inp | 1606.00 | NIST | |
| Inp | 1606.00 | NIST | |
| I | [2400.00; 2400.00] |
|
|
| I | 2400.00 | NIST | |
| I | 2400.00 | NIST | |
| Tboil | 582.98 | K | Relay (1.0) Calculated Property |
| Tc | 843.67 | K | Relay (1.0) Calculated Property |
| Tfus | 349.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.508 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazine, phenylthio.
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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