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Cysteamine
CAS: 60-23-1 | C2H7NS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
60-23-1
Molecular Formula:
C2H7NS
Molecular Mass:
77.15 g/mol
Names and Synonyms:
Cysteamine
Ethanethiol, 2-amino-
2-Aminoethanethiol
2-Aminoethyl mercaptan
Becaptan
Cysteamine
Decarboxycysteine
Lambraten
Mercamine
Mercaptamine
Mercaptoethylamine
β-Mercaptoethylamine
2-Mercaptoethylamine
Thioethanolamine
Cysteinamine
Lambratene
β-MEA
β-Aminoethanethiol
Merkamin
Riacon
L 1573
Mercaptamin
Mercamin
β-Aminoethylthiol
2-Mercaptoethanamine
2-Amino-1-ethanethiol
MEA
MEA (mercaptan)
WR 347
1-Amino-2-mercaptoethane
NSC 647528
2-Aminoethylthiol
Cystagone
NM 001
Mercaptoethanylamine
2-Mercaptoethaneamine
Dropcys
Identifiers:
SMILES:
NCCS
InChI:
InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
Key Properties
Boiling Point
130 °C
CAS Common Chemistry
Melting Point
99.5 °C
CAS Common Chemistry
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 77.15 g/mol | CAS Common Chemistry |
| 77.15199999999999 g/mol | RDKit | |
| 77.029920224 g/mol | RDKit | |
| Boiling Point | 130 °C | CAS Common Chemistry |
| Canonical SMILES | SCCN | CAS Common Chemistry |
| InChI | InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UFULAYFCSOUIOV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 99.5 °C | CAS Common Chemistry |
| Name | Cysteamine | CAS Common Chemistry |
| Heavy Atom Count | 4 | 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 | -0.12509999999999988 | RDKit |
| Molar Refractivity | 22.9074 | RDKit |
