- InChI
- InChI=1S/C11H20N4OSSi2/c1-18(2,3)16-10-8-9(13-7-12-8)14-11(15-10)17-19(4,5)6/h7H,1-6H3,(H,12,13,14,15)
- InChI Key
- VHHHGYLNMMNKBZ-UHFFFAOYSA-N
- Formula
- C11H20N4OSSi2
- SMILES
-
C[Si](C)(C)Oc1nc(S[Si](C)(C)C)
nc2nc[nH]c12 - Molecular Weight1
- 312.54
- 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 | 0.5954 | Relay (... Calculated Property | |
| ΔfG° | 259.10 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -244.83 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 85.81 | kJ/mol | Relay (... Calculated Property |
| IE | 8.66 | eV | Relay (... Calculated Property |
| log10WS | -4.09 | Relay (... Calculated Property | |
| logPoct/wat | 3.012 | Crippen Calculated Property | |
| Pc | 1691.99 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2214.00; 2214.00] |
|
|
| Inp | 2214.00 | NIST | |
| Inp | 2214.00 | NIST | |
| Tboil | 600.18 | K | Relay (... Calculated Property |
| Tc | 880.12 | K | Relay (... Calculated Property |
| Tfus | 426.09 | K | Relay (... Calculated Property |
| Vc | 0.924 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Purine, 6-hydroxy-2-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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