- InChI
- InChI=1S/C11H13NOS2/c1-10(2)11(13,12-9(14)15-10)8-6-4-3-5-7-8/h3-7,13H,1-2H3,(H,12,14)
- InChI Key
- MTXXXQTTXHIPDK-UHFFFAOYSA-N
- Formula
- C11H13NOS2
- SMILES
- CC1(C)SC(S)=NC1(O)c1ccccc1
- Molecular Weight1
- 239.36
- CAS
- 58417-88-2
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 241.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 85.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.39 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 2.643 | Crippen Calculated Property | |
| McVol | 175.480 | ml/mol | McGowan Calculated Property |
| Pc | 4249.61 | kPa | Joback Calculated Property |
| Tboil | 749.56 | K | Joback Calculated Property |
| Tc | 1021.95 | K | Joback Calculated Property |
| Tfus | 560.16 | K | Joback Calculated Property |
| Vc | 0.633 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.52; 572.99] | J/mol×K | [749.56; 1021.95] | 
|
| Cp,gas | 474.52 | J/mol×K | 749.56 | Joback Calculated Property |
| Cp,gas | 489.65 | J/mol×K | 794.96 | Joback Calculated Property |
| Cp,gas | 504.78 | J/mol×K | 840.36 | Joback Calculated Property |
| Cp,gas | 520.28 | J/mol×K | 885.76 | Joback Calculated Property |
| Cp,gas | 536.56 | J/mol×K | 931.16 | Joback Calculated Property |
| Cp,gas | 554.00 | J/mol×K | 976.55 | Joback Calculated Property |
| Cp,gas | 572.99 | J/mol×K | 1021.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxy-5,5-dimethyl-4-phenylthiazolidine-2-thione.
Sources
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