- InChI
- InChI=1S/C14H28N4S2Si3/c1-21(2,3)18-10-15-11-12(18)16-14(20-23(7,8)9)17-13(11)19-22(4,5)6/h10H,1-9H3
- InChI Key
- BBSYSBBFKXXYEC-UHFFFAOYSA-N
- Formula
- C14H28N4S2Si3
- SMILES
-
C[Si](C)(C)Sc1nc(S[Si](C)(C)C)
c2ncn([Si](C)(C)C)c2n1 - Molecular Weight1
- 400.79
- 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 | 0.6076 | Relay (1.0) Calculated Property | |
| ΔfG° | 388.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -195.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 86.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.363 | Crippen Calculated Property | |
| Pc | 883.89 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2463.00; 2463.00] |
|
|
| Inp | 2463.00 | NIST | |
| Inp | 2463.00 | NIST | |
| Tboil | 609.30 | K | Relay (1.0) Calculated Property |
| Tc | 903.01 | K | Relay (1.0) Calculated Property |
| Tfus | 402.05 | K | Relay (1.0) Calculated Property |
| Vc | 1.209 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dithioxanthine, 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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