- InChI
- InChI=1S/C15H32N4O2SSi3/c1-23(2,3)19-14-13(18-12(20)10-21-24(4,5)6)15(17-11-16-14)22-25(7,8)9/h11H,10H2,1-9H3,(H,18,20)(H,16,17,19)
- InChI Key
- ZIKGEUBKBUYZPS-UHFFFAOYSA-N
- Formula
- C15H32N4O2SSi3
- SMILES
-
C[Si](C)(C)Nc1ncnc(S[Si](C)(C)
C)c1NC(=O)CO[Si](C)(C)C - Molecular Weight1
- 416.76
- 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 | 0.7989 | Relay (1.0) Calculated Property | |
| ΔfG° | 136.52 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -638.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.440 | Crippen Calculated Property | |
| Pc | 938.93 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2065.00; 2065.00] |
|
|
| Inp | 2065.00 | NIST | |
| Inp | 2065.00 | NIST | |
| Tboil | 607.44 | K | Relay (1.0) Calculated Property |
| Tc | 903.11 | K | Relay (1.0) Calculated Property |
| Tfus | 406.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.238 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrimidine, 6-amino-5-hydroxyacetamino-4-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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