- InChI
- InChI=1S/C9H14N2S/c1-6-7(2)11-9(5-12-4)8(3)10-6/h5H2,1-4H3
- InChI Key
- FUDCPZZFJNUELV-UHFFFAOYSA-N
- Formula
- C9H14N2S
- SMILES
- CSCc1nc(C)c(C)nc1C
- Molecular Weight1
- 182.29
- 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).
- 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 | 0.4572 | Relay (... Calculated Property | |
| ΔfG° | 182.47 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 75.03 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 71.64 | kJ/mol | Relay (... Calculated Property |
| IE | 8.04 | eV | Relay (... Calculated Property |
| log10WS | -0.63 | Relay (... Calculated Property | |
| logPoct/wat | 2.265 | Crippen Calculated Property | |
| McVol | 150.220 | ml/mol | McGowan Calculated Property |
| Pc | 2976.77 | kPa | Relay (... Calculated Property ⚠️ |
| I | 2060.00 | NIST | |
| Tboil | 526.68 | K | Relay (... Calculated Property |
| Tc | 771.95 | K | Relay (... Calculated Property |
| Tfus | 325.23 | K | Relay (... Calculated Property |
| Vc | 0.541 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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)
Find more compounds similar to 2-(Methylthio)methyl-3,5,6-trimethylpyrazine.
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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