- InChI
- InChI=1S/C20H22N2OS/c23-24-19-7-3-1-5-17(19)22(18-6-2-4-8-20(18)24)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2
- InChI Key
- GWHIBUGIPBSCCU-UHFFFAOYSA-N
- Formula
- C20H22N2OS
- SMILES
-
O=S1c2ccccc2N(CC2CN3CCC2CC3)c2
ccccc21 - Molecular Weight1
- 338.47
- 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 | 0.6603 | Relay (1.0) Calculated Property | |
| ΔfG° | 323.74 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 134.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 136.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.647 | Crippen Calculated Property | |
| McVol | 254.740 | ml/mol | McGowan Calculated Property |
| Pc | 1778.82 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3120.00; 3120.00] |
|
|
| Inp | 3120.00 | NIST | |
| Inp | 3120.00 | NIST | |
| Tboil | 761.77 | K | Relay (1.0) Calculated Property |
| Tc | 1098.37 | K | Relay (1.0) Calculated Property |
| Tfus | 485.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.918 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Mequitazine M (sulfoxide).
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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