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D-Cysteine
CAS: 921-01-7 | C3H7NO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
921-01-7
Molecular Formula:
C3H7NO2S
Molecular Mass:
121.16 g/mol
Names and Synonyms:
D-Cysteine
D-Cysteine
Cysteine, D-
(S)-Cysteine
(S)-2-Amino-3-mercaptopropanoic acid
18: PN: CN107114752 PAGE: 2 claimed sequence
(2S)-2-Amino-3-sulfanylpropanoic acid
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-/m1/s1
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 | |
| 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-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XUJNEKJLAYXESH-UWTATZPHSA-N | CAS Common Chemistry |
| Name | D-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 |
