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Molecule
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
Identifiers
CAS Registry Number
60-23-1
SMILES
NCCS
InChI Key
UFULAYFCSOUIOV-UHFFFAOYSA-N
InChI
InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
Names and Synonyms
- Cysteamine Common Name
- Ethanethiol, 2-amino- Synonym
- 2-Aminoethanethiol Synonym
- 2-Aminoethyl mercaptan Synonym
- Becaptan Synonym
- Cysteamine Synonym
- Decarboxycysteine Synonym
- Lambraten Synonym
- Mercamine Synonym
- Mercaptamine Synonym
- Mercaptoethylamine Synonym
- β-Mercaptoethylamine Synonym
- 2-Mercaptoethylamine Synonym
- Thioethanolamine Synonym
- Cysteinamine Synonym
- Lambratene Synonym
- β-MEA Synonym
- β-Aminoethanethiol Synonym
- Merkamin Synonym
- Riacon Synonym
- L 1573 Synonym
- Mercaptamin Synonym
- Mercamin Synonym
- β-Aminoethylthiol Synonym
- 2-Mercaptoethanamine Synonym
- 2-Amino-1-ethanethiol Synonym
- MEA Synonym
- MEA (mercaptan) Synonym
- WR 347 Synonym
- 1-Amino-2-mercaptoethane Synonym
- NSC 647528 Synonym
- 2-Aminoethylthiol Synonym
- Cystagone Synonym
- NM 001 Synonym
- Mercaptoethanylamine Synonym
- 2-Mercaptoethaneamine Synonym
- Dropcys Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 77.15 g/mol | CAS Common Chemistry |
| 77.15199999999999 g/mol | RDKit | |
| 77.152 g/mol | RDKit | |
| 77.145 g/mol | chempirical lib | |
| 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 |
| -0.1251 | RDKit | |
| Molar Refractivity | 22.9074 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 77.029920224 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 77.15 g/mol. Edit any field — others recompute live.
