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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
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

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

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