- InChI
- InChI=1S/C14H14N2O2S2/c1-16(2)20(17,18)10-7-8-14-12(9-10)15-11-5-3-4-6-13(11)19-14/h3-9,15H,1-2H3
- InChI Key
- KMMXCCWCGOUAGH-UHFFFAOYSA-N
- Formula
- C14H14N2O2S2
- SMILES
-
CN(C)S(=O)(=O)c1ccc2c(c1)Nc1cc
ccc1S2 - Molecular Weight1
- 306.40
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.6324 | Relay (1.0) Calculated Property | |
| ΔfG° | 113.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -63.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.145 | Crippen Calculated Property | |
| McVol | 214.140 | ml/mol | McGowan Calculated Property |
| Pc | 3740.80 | kPa | Joback Calculated Property |
| Inp | 3200.00 | NIST | |
| Tboil | 723.32 | K | Relay (1.0) Calculated Property |
| Tc | 1044.61 | K | Relay (1.0) Calculated Property |
| Tfus | 505.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.762 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [563.32; 631.27] | J/mol×K | [751.76; 998.69] | 
|
| Cp,gas | 563.32 | J/mol×K | 751.76 | Joback Calculated Property |
| Cp,gas | 577.34 | J/mol×K | 792.91 | Joback Calculated Property |
| Cp,gas | 590.14 | J/mol×K | 834.07 | Joback Calculated Property |
| Cp,gas | 601.84 | J/mol×K | 875.22 | Joback Calculated Property |
| Cp,gas | 612.53 | J/mol×K | 916.38 | Joback Calculated Property |
| Cp,gas | 622.30 | J/mol×K | 957.53 | Joback Calculated Property |
| Cp,gas | 631.27 | J/mol×K | 998.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thioproperazine M (ring).
Sources
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