- InChI
- InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
- InChI Key
- PWKSKIMOESPYIA-UHFFFAOYSA-N
- Formula
- C5H9NO3S
- SMILES
- CC(=O)NC(CS)C(=O)O
- Molecular Weight1
- 163.20
- Other Names
-
- Acetein
- Airbron
- Broncholysin
- Brunac
- Cysteine, N-acetyl-, L-
- Fabrol
- Fluatox
- Fluimicil Infantil
- Fluimucetin
- Fluimucil
- Flumucetin
- Fluprowit
- Inspir
- L-Acetylcysteine
- L-«alpha»-Acetamido-«beta»-mercaptopropionic acid
- Lysomucil
- Mercapturic acid
- Mercapturic acid, (R)-
- Muco sanigen
- Mucocedyl
- Mucofilin
- Mucolator
- Mucolyticum
- Mucolyticum Lappe
- Mucolytikum Lappe
- Mucomyst
- Mucosolvin
- Mucret
- N-Acetyl-L-cysteine
- N-Acetylcysteine
- NAC
- NAC-TB
- NSC 111180
- Neo-fluimucil
- Parvolex
- Respaire
- Tixair
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | [32.10; 32.10] | kJ/mol |
|
| ΔfusH° | 32.10 | kJ/mol | Solubility studies on the system of trihexyl(tetradecyl)phosphonium bis[(trifluoromethyl)sulfonyl]amide) ionic liquid and pharmaceutical and bioactive compounds |
| ΔfusH° | 32.10 | kJ/mol | Solubilities of pharmaceutical and bioactive compounds in trihexyl(tetradecyl)phosphonium chloride ionic liquid |
| ΔvapH° | 90.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.495 | Crippen Calculated Property | |
| McVol | 116.650 | ml/mol | McGowan Calculated Property |
| Inp | [1547.00; 1547.00] |
|
|
| Inp | 1547.00 | NIST | |
| Inp | 1547.00 | NIST | |
| Tboil | 545.59 | K | Relay (1.0) Calculated Property |
| Tfus | 393.71 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.92; 314.92] | J/mol×K | [626.31; 830.53] |
|
| Cp,gas | 274.92 | J/mol×K | 626.31 | Joback Calculated Property |
| Cp,gas | 282.74 | J/mol×K | 660.35 | Joback Calculated Property |
| Cp,gas | 290.07 | J/mol×K | 694.38 | Joback Calculated Property |
| Cp,gas | 296.94 | J/mol×K | 728.42 | Joback Calculated Property |
| Cp,gas | 303.37 | J/mol×K | 762.46 | Joback Calculated Property |
| Cp,gas | 309.36 | J/mol×K | 796.50 | Joback Calculated Property |
| Cp,gas | 314.92 | J/mol×K | 830.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetylcysteine.
Mixtures
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
- Solubility of pharmaceutical compounds in ionic liquidsAna
- Solubility studies on the system of trihexyl(tetradecyl)phosphonium bis[(trifluoromethyl)sulfonyl]amide) ionic liquid and pharmaceutical and bioactive compounds
- Solubilities of pharmaceutical and bioactive compounds in trihexyl(tetradecyl)phosphonium chloride ionic liquid
- Experimental and computational study on the energetics of N-acetyl-L-cysteine
- Synthesis and thermodynamics studies of ionic liquid 1-methyl-3-pentylimidazolium bromide ([C5mim][Br]) with amino acids (L-cysteine and N-acetyl-L-cysteine) at different temperatures
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.