Back to Search
Dl-Cysteine, Hydrochloride
CAS: 10318-18-0 | C3H8ClNO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10318-18-0
Molecular Formula:
C3H8ClNO2S
Molecular Mass:
157.62 g/mol
Names and Synonyms:
Dl-Cysteine, Hydrochloride
Cysteine, hydrochloride (1:1)
Cysteine, hydrochloride, DL-
DL-Cysteine, hydrochloride
Cysteine, hydrochloride
(±)-Cysteine hydrochloride
2-Amino-3-mercaptopropanoic acid hydrochloride
2-Amino-3-sulfanylpropanoic acid hydrochloride
Identifiers:
SMILES:
Cl.NC(CS)C(=O)O
InChI:
InChI=1S/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H
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 | 157.62 g/mol | CAS Common Chemistry |
| 157.622 g/mol | RDKit | |
| 156.996427176 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(O)C(N)CS | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H | CAS Common Chemistry |
| InChI Key | InChIKey=IFQSXNOEEPCSLW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | DL-Cysteine, hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | -0.25010000000000004 | RDKit |
| Molar Refractivity | 36.71220000000001 | RDKit |
