- InChI
- InChI=1S/C22H26N2OS2/c1-16(25)23-13-6-5-7-17(23)12-14-24-19-8-3-4-9-21(19)27-22-11-10-18(26-2)15-20(22)24/h3-4,8-11,15,17H,5-7,12-14H2,1-2H3
- InChI Key
- YCDMQFVMNFYJQK-UHFFFAOYSA-N
- Formula
- C22H26N2OS2
- SMILES
-
CSc1ccc2c(c1)N(CCC1CCCCN1C(C)=
O)c1ccccc1S2 - Molecular Weight1
- 398.58
- 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 | 0.7396 | Relay (1.0) Calculated Property | |
| ΔfG° | 303.29 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -39.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 139.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.802 | Crippen Calculated Property | |
| McVol | 305.830 | ml/mol | McGowan Calculated Property |
| Pc | 1395.92 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3490.00 | NIST | |
| Tboil | 782.12 | K | Relay (1.0) Calculated Property |
| Tc | 1068.57 | K | Relay (1.0) Calculated Property |
| Tfus | 399.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.056 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thioridazine M (nor-), monoacetylated.
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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