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Cysteamine Hydrochloride
CAS: 156-57-0 | C2H8ClNS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
156-57-0
Molecular Formula:
C2H8ClNS
Molecular Weight:
113.61300000000001 g/mol
Names and Synonyms:
Cysteamine Hydrochloride
Ethanethiol, 2-amino-, hydrochloride (1:1)
Ethanethiol, 2-amino-, hydrochloride
Cysteamine hydrochloride
2-Mercaptoethylamine hydrochloride
2-Aminoethanethiol hydrochloride
2-Mercaptoethylammonium chloride
Merkamin hydrochloride
Mercamine hydrochloride
Cysteaminium chloride
Cysteinamine hydrochloride
Cysteamine chlorohydrate
1-Amino-2-mercaptoethane hydrochloride
β-Mercaptoethylamine hydrochloride
2-Thioethylamine hydrochloride
CI 9148
2-Mercaptoethanamine hydrochloride
2-Aminoethanthiol hydrochloride
CT 2000
Lynovex
2-Mercaptoethanaminium chloride
2-Aminoethane-1-thiol hydrochloride
Cystadrops
CA 75A
Identifiers:
SMILES:
Cl.NCCS
InChI:
InChI=1S/C2H7NS.ClH/c3-1-2-4;/h4H,1-3H2;1H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 113.61300000000001 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 113.00659793599999 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 5 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 1 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | 0.2967 | RDKit |
molecular_mass | 113.61 g/mol | Legacy Database |
cas-canonical-smile | Cl.SCCN None | Legacy Database |
cas-inchi | InChI=1S/C2H7NS.ClH/c3-1-2-4;/h4H,1-3H2;1H None | Legacy Database |
cas-inchi-key | InChIKey=OGMADIBCHLQMIP-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | 70.2-70.7 °C None | Legacy Database |
cas-name | Cysteamine hydrochloride None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 30.155399999999997 | RDKit |