- InChI
- InChI=1S/C22H29N3OS2/c1-3-28(26)18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3
- InChI Key
- MBXPSQGCQPTXKD-UHFFFAOYSA-N
- Formula
- C22H29N3OS2
- SMILES
-
CCS(=O)c1ccc2c(c1)N(CCCN1CCN(C
)CC1)c1ccccc1S2 - Molecular Weight1
- 415.62
- 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.
- McVol : McGowan's characteristic volume (ml/mol).
- 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 | 0.8205 | Relay (1.0) Calculated Property | |
| ΔfG° | 363.64 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 59.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 150.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.054 | Crippen Calculated Property | |
| McVol | 320.110 | ml/mol | McGowan Calculated Property |
| Pc | 1270.09 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3400.00; 3400.00] |
|
|
| Inp | 3400.00 | NIST | |
| Inp | 3400.00 | NIST | |
| Tboil | 793.45 | K | Relay (1.0) Calculated Property |
| Tc | 1080.16 | K | Relay (1.0) Calculated Property |
| Tfus | 427.05 | K | Relay (1.0) Calculated Property |
| Vc | 1.136 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiethylperazine M (sulfone).
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
- McGowan Method
- NIST Webbook
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