- InChI
- InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
- InChI Key
- IDIDJDIHTAOVLG-GSVOUGTGSA-N
- Formula
- C4H9NO2S
- SMILES
- CSCC(N)C(=O)O
- Molecular Weight1
- 135.19
- CAS
- 1187-84-4
- Other Names
-
- Alanine, 3-(methylthio)-, L-
- L-CH3SCH2CH(NH2)COOH
- L-Cysteine, S-methyl-
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -185.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -320.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.99 | kJ/mol | Joback Calculated Property |
| IE | [8.40; 8.80] | eV |
|
| IE | 8.40 | eV | NIST |
| IE | 8.80 | eV | NIST |
| log10WS | -0.03 | Crippen Calculated Property | |
| logPoct/wat | -0.239 | Crippen Calculated Property | |
| McVol | 100.990 | ml/mol | McGowan Calculated Property |
| Pc | 5367.04 | kPa | Joback Calculated Property |
| Tboil | 577.84 | K | Joback Calculated Property |
| Tc | 785.43 | K | Joback Calculated Property |
| Tfus | 348.25 | K | Joback Calculated Property |
| Vc | 0.361 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.62; 270.33] | J/mol×K | [577.84; 785.43] |
|
| Cp,gas | 230.62 | J/mol×K | 577.84 | Joback Calculated Property |
| Cp,gas | 238.27 | J/mol×K | 612.44 | Joback Calculated Property |
| Cp,gas | 245.50 | J/mol×K | 647.04 | Joback Calculated Property |
| Cp,gas | 252.32 | J/mol×K | 681.64 | Joback Calculated Property |
| Cp,gas | 258.72 | J/mol×K | 716.24 | Joback Calculated Property |
| Cp,gas | 264.73 | J/mol×K | 750.83 | Joback Calculated Property |
| Cp,gas | 270.33 | J/mol×K | 785.43 | Joback Calculated Property |
Similar Compounds
![([(2-Amino-2-carboxyethyl)sulfanyl]methyl)cysteine.](data:image/png;base64,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)
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