- InChI
- InChI=1S/C5H7NOS2/c1-2-6-4(7)3-9-5(6)8/h2-3H2,1H3
- InChI Key
- UPCYEFFISUGBRW-UHFFFAOYSA-N
- Formula
- C5H7NOS2
- SMILES
- CCN1C(=O)CSC1=S
- Molecular Weight1
- 161.25
- CAS
- 7648-01-3
- Other Names
-
- N-Ethylrhodanine
- 3-Ethyl-2-thioxo-4-thiazolidinone
- 3-Ethylrhodanine
- Rhodanine, 3-ethyl-
- 3-Ethyl-2-thioxothiazolidin-4-one
- 3-Ethylrodanin
- 3-Ethylrhodamine
- NSC 81656
- 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).
- 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 | 0.3751 | Relay (1.0) Calculated Property | |
| ΔfG° | -46.52 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -113.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.867 | Crippen Calculated Property | |
| McVol | 110.400 | ml/mol | McGowan Calculated Property |
| Pc | 3835.94 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 548.12 | K | Relay (1.0) Calculated Property |
| Tc | 794.90 | K | Relay (1.0) Calculated Property |
| Tfus | 364.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.371 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Thiazolidinone, 3-ethyl-2-thioxo-.
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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