- InChI
- InChI=1S/C13H26N4OS2Si/c1-14-12(19)15-9-7-6-8-10-11(18-21(3,4)5)17(2)13(20)16-10/h6-9H2,1-5H3,(H,16,20)(H2,14,15,19)
- InChI Key
- RTZNTHYYTJDRKO-UHFFFAOYSA-N
- Formula
- C13H26N4OS2Si
- SMILES
-
CNC(=S)NCCCCc1[nH]c(=S)n(C)c1O
[Si](C)(C)C - Molecular Weight1
- 346.59
- 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 | 0.8319 | Relay (1.0) Calculated Property | |
| ΔfG° | 215.40 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -319.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 131.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.231 | Crippen Calculated Property | |
| Pc | 1330.50 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2326.00; 2326.00] |
|
|
| Inp | 2326.00 | NIST | |
| Inp | 2326.00 | NIST | |
| Tboil | 633.87 | K | Relay (1.0) Calculated Property |
| Tc | 922.83 | K | Relay (1.0) Calculated Property |
| Tfus | 399.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.961 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «epsilon»-Methylthiocarbamyl lysine, MTH-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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