- InChI
- InChI=1S/C6H7NO3S2/c8-4-3-12-6(11)7(4)2-1-5(9)10/h1-3H2,(H,9,10)
- InChI Key
- SWAHCTPCIUXXTQ-UHFFFAOYSA-N
- Formula
- C6H7NO3S2
- SMILES
- O=C(O)CCN1C(=O)CSC1=S
- Molecular Weight1
- 205.25
- CAS
- 7025-19-6
- Other Names
-
- 3-Thiazolidinepropanoic acid, 4-oxo-2-thioxo-
- 3-Thiazolidinepropionic acid, 4-oxo-2-thioxo-
- 4-Oxo-2-thioxo-3-thiazolidinepropionic acid
- Rhodanine-3-propionic acid
- Rodanin-3-propionic acid
- 4-oxo-2-thioxothiazolidine-3-propionic acid
- 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 | 0.7136 | Relay (1.0) Calculated Property | |
| ΔfG° | -339.60 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -460.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.321 | Crippen Calculated Property | |
| McVol | 131.930 | ml/mol | McGowan Calculated Property |
| Pc | 3968.27 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 588.78 | K | Relay (1.0) Calculated Property |
| Tc | 885.83 | K | Relay (1.0) Calculated Property |
| Tfus | 447.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.438 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-Carboxyethylrhodanine.
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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