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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 Weight:
77.15199999999999 g/mol
Names and Synonyms:
Cysteamine
Dropcys
2-Mercaptoethaneamine
Mercaptoethanylamine
NM 001
Cystagone
2-Aminoethylthiol
NSC 647528
1-Amino-2-mercaptoethane
WR 347
MEA (mercaptan)
MEA
2-Amino-1-ethanethiol
2-Mercaptoethanamine
β-Aminoethylthiol
Mercamin
Mercaptamin
L 1573
Riacon
Merkamin
β-Aminoethanethiol
β-MEA
Lambratene
Cysteinamine
Thioethanolamine
2-Mercaptoethylamine
β-Mercaptoethylamine
Mercaptoethylamine
Mercaptamine
Mercamine
Lambraten
Decarboxycysteine
Cysteamine
Becaptan
2-Aminoethyl mercaptan
2-Aminoethanethiol
Ethanethiol, 2-amino-
Identifiers:
SMILES:
NCCS
InChI:
InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 77.15 g/mol | Legacy Database |
| cas-boiling-point | 130 °C None | Legacy Database |
| cas-canonical-smile | SCCN None | Legacy Database |
| cas-inchi | InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2 None | Legacy Database |
| cas-inchi-key | InChIKey=UFULAYFCSOUIOV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 99.5 °C None | Legacy Database |
| cas-name | Cysteamine None | Legacy Database |
| LogP | -0.12509999999999988 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 77.15199999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 77.029920224 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 22.9074 | RDKit |
