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Cysteine
CAS: 52-90-4 | C3H7NO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
52-90-4
Molecular Formula:
C3H7NO2S
Molecular Mass:
121.16 g/mol
Names and Synonyms:
Cysteine
L-Cysteine
Cysteine, L-
Half-cystine
β-Mercaptoalanine
Thioserine
L-(+)-Cysteine
Cysteine
Propanoic acid, 2-amino-3-mercapto-, (R)-
Cystein
L-Alanine, 3-mercapto-
NSC 8746
(R)-2-Amino-3-mercaptopropanoic acid
(R)-Cysteine
2-Amino-3-mercaptopropionic acid
L-Cys
E 920
(R)-2-Amino-3-mercaptopropanoic acid
(R)-2-Amino-3-sulfanylpropanoic acid
(2R)-2-Amino-3-sulfanylpropanoic acid
2-Amino-3-mercaptopropanoic acid
11: PN: WO2021055880 SEQID: 12 claimed protein
Identifiers:
SMILES:
N[C@@H](CS)C(=O)O
InChI:
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
Key Properties
Melting Point
240 °C (decomp)
CAS Common Chemistry
Density
1.67 g/cm³
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 | 121.16 g/mol | CAS Common Chemistry |
| 121.16099999999997 g/mol | RDKit | |
| 121.019749464 g/mol | RDKit | |
| Density | 1.67 g/cm³ | CAS Common Chemistry |
| 1.6666 g/cm3 @ Temp: 45.00 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cysteine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(N)CS | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XUJNEKJLAYXESH-REOHCLBHSA-N | CAS Common Chemistry |
| Melting Point | 240 °C (decomp) | CAS Common Chemistry |
| Name | L-(+)-Cysteine | CAS Common Chemistry |
| Cysteine | CAS Common Chemistry | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | -0.6719000000000002 | RDKit |
| Molar Refractivity | 29.464199999999998 | RDKit |
