![([(2-Amino-2-carboxyethyl)sulfanyl]methyl)cysteine](/cid/38-679-7/2-Amino-2-carboxyethyl-sulfanyl-methyl-cysteine.png "([(2-Amino-2-carboxyethyl)sulfanyl]methyl)cysteine")
- InChI
- InChI=1S/C7H14N2O4S2/c8-4(6(10)11)1-14-3-15-2-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
- InChI Key
- JMQMNWIBUCGUDO-UHFFFAOYSA-N
- Formula
- C7H14N2O4S2
- SMILES
-
[NH3+]C(CSCSCC([NH3+])C(=O)[O-
])C(=O)[O-] - Molecular Weight1
- 254.33
- 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 | 0.6406 | Relay (1.0) Calculated Property | |
| ΔfG° | -216.02 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -708.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | -4.869 | Crippen Calculated Property | |
| McVol | 177.030 | ml/mol | McGowan Calculated Property |
| Pc | 2557.29 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 568.17 | K | Relay (1.0) Calculated Property |
| Tc | 801.72 | K | Relay (1.0) Calculated Property |
| Tfus | 396.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.554 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to ([(2-Amino-2-carboxyethyl)sulfanyl]methyl)cysteine.
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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