- InChI
- InChI=1S/C3H4N2OS/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)
- InChI Key
- UGWULZWUXSCWPX-UHFFFAOYSA-N
- Formula
- C3H4N2OS
- SMILES
- O=C1CNC(=S)N1
- Molecular Weight1
- 116.14
- CAS
- 503-87-7
- Other Names
-
- 2-Thioguidanthion
- 2-Thioxo-4-imidazolinone
- 2-thiohydantoin
- 2-thioxo-4-imidazolidinone
- Glycine thiohydantoin
- Hydantoin, 2-thio-
- Thiohydantoin
- USAF BE-25
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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° | 162.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 28.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.08 | kJ/mol | Joback Calculated Property |
| log10WS | -0.47 | Crippen Calculated Property | |
| logPoct/wat | -1.009 | Crippen Calculated Property | |
| McVol | 75.850 | ml/mol | McGowan Calculated Property |
| Pc | 7640.96 | kPa | Joback Calculated Property |
| Tboil | 525.55 | K | Joback Calculated Property |
| Tc | 792.42 | K | Joback Calculated Property |
| Tfus | 506.10 | K | Experim... |
| Vc | 0.265 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.87; 182.89] | J/mol×K | [525.55; 792.42] | 
|
| Cp,gas | 140.87 | J/mol×K | 525.55 | Joback Calculated Property |
| Cp,gas | 148.91 | J/mol×K | 570.03 | Joback Calculated Property |
| Cp,gas | 156.55 | J/mol×K | 614.51 | Joback Calculated Property |
| Cp,gas | 163.78 | J/mol×K | 658.99 | Joback Calculated Property |
| Cp,gas | 170.59 | J/mol×K | 703.46 | Joback Calculated Property |
| Cp,gas | 176.97 | J/mol×K | 747.94 | Joback Calculated Property |
| Cp,gas | 182.89 | J/mol×K | 792.42 | Joback Calculated Property |
| Cp,solid | 137.05 | J/mol×K | 298.15 | Evaluat... |
Similar Compounds
Find more compounds similar to 4-Imidazolidinone, 2-thioxo-.
Sources
- Crippen Method
- Crippen Method
- Experimental and computational study of the energetics of hydantoin and 2-thiohydantoin
- Evaluation of sublimation enthalpy by thermogravimetry: Analysis of the diffusion effects in the case of methyl and phenyl substituted hydantoins
- Joback Method
- McGowan Method
- NIST Webbook
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