HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-Acetyl-DL-cysteine
N-Ac-DL-Cys-OH · Cysteine, N-acetyl- · N-acetyl-DL-cysteine · DL-Cysteine, N-acetyl- · Acetylcysteine Impurity 13 · Cysteine, N-acetyl-, DL- (8CI) · 2-Acetamido-3-sulfanylpropanoic acid · 2-Acetamido-3-mercaptopropanoic acid
Identifiers & Physical Properties
| CAS No. | 616-91-1 |
|---|---|
| Molecular formula | C5H9NO3S |
| Average molar mass | 163.2 g/mol |
| Monoisotopic mass | 163.03031415 g/mol |
| SMILES | CC(=O)NC(CS)C(=O)O |
| InChIKey | PWKSKIMOESPYIA-UHFFFAOYSA-N |
| PubChem CID | 581 |
| ChEMBL | CHEMBL145615 |
| EC No. | 230-609-9 |
| DTXSID | DTXSID8048105 |
Chemical & Physical Properties
| XLogP | 0.4 |
|---|---|
| Topological polar surface area | 67.4 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 148 |
| Drugs | Pharmaceuticals |
| Melting point | 122-129oC |
| Boiling point | 407.7±40.0 °C(Predicted) |
| Density | 1.294±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | Aqueous Base (Slightly), Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly) |
| pKa (acidity coefficient) | 3.25±0.10(Predicted) |
| Physical state | Solid |
| Color | White to Off-White |
| Stability | Hygroscopic |
| FDA UNII | 2SPH1IMO2V |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
N-Acetyl-cysteine is a reagent that is used in the synthesis of phenylalkyl isoselenocyanates which has anticancer activity.