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Molecule
Mucomyst
CAS: 616-91-1 · C5H9NO3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 616-91-1
- Molecular Formula
- C5H9NO3S
- Molecular Mass
- 163.20 g/mol
Identifiers
CAS Registry Number
616-91-1
SMILES
CC(O)=N[C@@H](CS)C(=O)O
InChI Key
PWKSKIMOESPYIA-BYPYZUCNSA-N
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
Names and Synonyms
- Mucomyst Synonym
- N-Acetyl-L-Cysteine Synonym
- L-Cysteine, N-acetyl- Synonym
- Cysteine, N-acetyl-, L- Synonym
- N-Acetyl-L-cysteine Synonym
- N-Acetylcysteine Synonym
- Acetylcysteine Synonym
- Mercapturic acid Synonym
- Mercapturic acid, (R)- Synonym
- Airbron Synonym
- Fluimucil Synonym
- Fluimucetin Synonym
- Respaire Synonym
- Mucolyticum-Lappe Synonym
- L-Acetylcysteine Synonym
- Parvolex Synonym
- Mucolytikum Lappe Synonym
- Broncholysin Synonym
- NSC 111180 Synonym
- Broncholysin (mucolytic) Synonym
- Mucosolvin Synonym
- N-Acetyl-(R)-cysteine Synonym
- Mucofilin Synonym
- L-N-Acetylcysteine Synonym
- Fluimicil Synonym
- Fluimicil Infantil Synonym
- Fluibiotic Synonym
- Nα-Acetylcysteine Synonym
- Exomuc Synonym
- (R)-N-Acetylcysteine Synonym
- Tixair Synonym
- Muco Sanigen Synonym
- Brunac Synonym
- Fluatox Synonym
- Mucocedyl Synonym
- Mucolator Synonym
- Neo-Fluimucil Synonym
- Fabrol Synonym
- Mucolyticum Synonym
- Mucret Synonym
- Fluprowit Synonym
- Acetilcysteina Synonym
- ACC Synonym
- Flumil Synonym
- Syntemucol Synonym
- Hypotears Synonym
- Lysomucil Synonym
- Fluimucil Antidot Synonym
- Acetadote Synonym
- Mucosten Synonym
- Asist Synonym
- Trom Synonym
- Mentopin Synonym
- Mucomelt Synonym
- Mucinac Synonym
- (2R)-2Acetamido-3-sulfanylpropanoic acid Synonym
- Cysteplus Synonym
- Ac-Cys-OH Synonym
- (2R)-2-Acetamido-3-sulfanylpropanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.20 g/mol | CAS Common Chemistry |
| 163.198 g/mol | RDKit | |
| 163.191 g/mol | chempirical lib | |
| Canonical SMILES | O=C(O)C(NC(=O)C)CS | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=PWKSKIMOESPYIA-BYPYZUCNSA-N | CAS Common Chemistry |
| Melting Point | 109.5 °C | CAS Common Chemistry |
| Name | N-Acetyl-L-cysteine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 69.89 Ų | RDKit |
| LogP | 0.34580000000000005 | RDKit |
| 0.3458 | RDKit | |
| Molar Refractivity | 41.01460000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 163.030314148 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 163.20 g/mol. Edit any field — others recompute live.
