- InChI
- InChI=1S/C10H16N4SSi/c1-7-13-9-8(14(7)2)10(12-6-11-9)15-16(3,4)5/h6H,1-5H3
- InChI Key
- UKXIOBPLQYRVLX-UHFFFAOYSA-N
- Formula
- C10H16N4SSi
- SMILES
- Cc1nc2ncnc(S[Si](C)(C)C)c2n1C
- Molecular Weight1
- 252.41
- 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 | 0.5128 | Relay (... Calculated Property | |
| ΔfG° | 353.14 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 46.02 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 77.62 | kJ/mol | Relay (... Calculated Property |
| IE | 8.47 | eV | Relay (... Calculated Property |
| log10WS | -2.81 | Relay (... Calculated Property | |
| logPoct/wat | 2.599 | Crippen Calculated Property | |
| Pc | 2152.29 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1950.00; 1950.00] |
|
|
| Inp | 1950.00 | NIST | |
| Inp | 1950.00 | NIST | |
| Tboil | 581.72 | K | Relay (... Calculated Property |
| Tc | 858.78 | K | Relay (... Calculated Property |
| Tfus | 435.52 | K | Relay (... Calculated Property |
| Vc | 0.735 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Purine, 8,9-dimethyl-6-mercapto, TMS.
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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