- InChI
- InChI=1S/C11H22N2OSSi2/c1-9-8-10(14-16(2,3)4)13-11(12-9)15-17(5,6)7/h8H,1-7H3
- InChI Key
- MJATVCUNXJRUGB-UHFFFAOYSA-N
- Formula
- C11H22N2OSSi2
- SMILES
-
Cc1cc(O[Si](C)(C)C)nc(S[Si](C)
(C)C)n1 - Molecular Weight1
- 286.54
- Other Names
-
- Pyrimidine, 2-mercapto-4-hydroxy-6-methyl, TMS
- 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.
- 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 | 0.5052 | Relay (1.0) Calculated Property | |
| ΔfG° | 128.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -386.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 65.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.926 | Crippen Calculated Property | |
| Pc | 1417.99 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1562.00; 1572.00] |
|
|
| Inp | 1562.00 | NIST | |
| Inp | 1572.00 | NIST | |
| Inp | 1572.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Tboil | 529.72 | K | Relay (1.0) Calculated Property |
| Tc | 750.06 | K | Relay (1.0) Calculated Property |
| Tfus | 323.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.891 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-6-trimethylsilyloxy-2-trimethylsilylsulfanyl-pyrimidine.
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
- NIST Webbook
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