- InChI
- InChI=1S/C21H24N2OS2/c1-22-15(6-5-9-21(22)24)12-13-23-17-7-3-4-8-19(17)26-20-11-10-16(25-2)14-18(20)23/h3-4,7-8,10-11,14-15H,5-6,9,12-13H2,1-2H3
- InChI Key
- ZNUYBUSUMRYHBP-UHFFFAOYSA-N
- Formula
- C21H24N2OS2
- SMILES
-
CSc1ccc2c(c1)N(CCC1CCCC(=O)N1C
)c1ccccc1S2 - Molecular Weight1
- 384.56
- 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 | 0.7288 | Relay (... Calculated Property | |
| ΔfG° | 295.32 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 3.97 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 138.53 | kJ/mol | Relay (... Calculated Property |
| IE | 7.10 | eV | Relay (... Calculated Property |
| log10WS | -4.85 | Relay (... Calculated Property | |
| logPoct/wat | 5.412 | Crippen Calculated Property | |
| McVol | 291.740 | ml/mol | McGowan Calculated Property |
| Pc | 1564.67 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3500.00 | NIST | |
| Tboil | 783.79 | K | Relay (... Calculated Property |
| Tc | 1079.15 | K | Relay (... Calculated Property |
| Tfus | 388.35 | K | Relay (... Calculated Property |
| Vc | 1.010 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Thioridazine M (oxo-).
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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