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Molecule
Cysteamine Hydrochloride
CAS: 156-57-0 · C2H8ClNS
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 156-57-0
- Molecular Formula
- C2H8ClNS
- Molecular Mass
- 113.61 g/mol
Identifiers
CAS Registry Number
156-57-0
SMILES
Cl.NCCS
InChI Key
OGMADIBCHLQMIP-UHFFFAOYSA-N
InChI
InChI=1S/C2H7NS.ClH/c3-1-2-4;/h4H,1-3H2;1H
Names and Synonyms
- Cysteamine Hydrochloride Synonym
- Ethanethiol, 2-amino-, hydrochloride (1:1) Synonym
- Ethanethiol, 2-amino-, hydrochloride Synonym
- Cysteamine hydrochloride Synonym
- 2-Mercaptoethylamine hydrochloride Synonym
- 2-Aminoethanethiol hydrochloride Synonym
- 2-Mercaptoethylammonium chloride Synonym
- Merkamin hydrochloride Synonym
- Mercamine hydrochloride Synonym
- Cysteaminium chloride Synonym
- Cysteinamine hydrochloride Synonym
- Cysteamine chlorohydrate Synonym
- 1-Amino-2-mercaptoethane hydrochloride Synonym
- β-Mercaptoethylamine hydrochloride Synonym
- 2-Thioethylamine hydrochloride Synonym
- CI 9148 Synonym
- 2-Mercaptoethanamine hydrochloride Synonym
- 2-Aminoethanthiol hydrochloride Synonym
- CT 2000 Synonym
- Lynovex Synonym
- 2-Mercaptoethanaminium chloride Synonym
- 2-Aminoethane-1-thiol hydrochloride Synonym
- Cystadrops Synonym
- CA 75A Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 113.61 g/mol | CAS Common Chemistry |
| 113.61300000000001 g/mol | RDKit | |
| 113.613 g/mol | RDKit | |
| 113.603 g/mol | chempirical lib | |
| Canonical SMILES | Cl.SCCN | CAS Common Chemistry |
| InChI | InChI=1S/C2H7NS.ClH/c3-1-2-4;/h4H,1-3H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=OGMADIBCHLQMIP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70.2-70.7 °C | CAS Common Chemistry |
| Name | Cysteamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 0.2967 | RDKit |
| Molar Refractivity | 30.155399999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 113.00659793599999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
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 = 113.61 g/mol. Edit any field — others recompute live.
