- InChI
- InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3
- InChI Key
- MJFJKKXQDNNUJF-UHFFFAOYSA-N
- Formula
- C20H23NS
- SMILES
-
CN1CCCC(CC2c3ccccc3Sc3ccccc32)
C1 - Molecular Weight1
- 309.47
- CAS
- 4969-02-2
- Other Names
-
- Piperidine, 1-methyl-3-(9H-thioxanthen-9-ylmethyl)-
- Piperidine, 1-methyl-3-(thioxanthen-9-ylmethyl)-
- Methixen
- 1-Methyl-3-(thioxanthen-9-ylmethyl) piperidine
- Methixene
- 1-Methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine
- 60 SJ 1977
- Tremaril
- Tremonil
- Trest
- 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 | 0.5001 | Relay (1.0) Calculated Property | |
| ΔfG° | 376.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 159.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 107.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.015 | Crippen Calculated Property | |
| McVol | 249.750 | ml/mol | McGowan Calculated Property |
| Pc | 1913.47 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2461.00; 2480.00] |
|
|
| Inp | 2470.00 | NIST | |
| Inp | 2480.00 | NIST | |
| Inp | 2461.00 | NIST | |
| Inp | 2461.00 | NIST | |
| Tboil | 712.13 | K | Relay (1.0) Calculated Property |
| Tc | 948.48 | K | Relay (1.0) Calculated Property |
| Tfus | 413.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.891 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Metixene.
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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