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2-Thiazolamine, 4-Methyl-, Hydrochloride (1:1)
CAS: 6142-15-0 | C4H7ClN2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6142-15-0
Molecular Formula:
C4H7ClN2S
Molecular Weight:
150.63400000000001 g/mol
Names and Synonyms:
2-Thiazolamine, 4-Methyl-, Hydrochloride (1:1)
4-Methylthiazol-2-amine hydrochloride
4-Methyl-2-thiazolamine monohydrochloride
2-Amino-4-methylthiazole hydrochloride
Thiazole, 2-amino-4-methyl-, hydrochloride
2-Thiazolamine, 4-methyl-, monohydrochloride
Thiazole, 2-amino-4-methyl-, monohydrochloride
2-Thiazolamine, 4-methyl-, hydrochloride (1:1)
Identifiers:
SMILES:
Cc1csc(=N)[nH]1.Cl
InChI:
InChI=1S/C4H6N2S.ClH/c1-3-2-7-4(5)6-3;/h2H,1H3,(H2,5,6);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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 150.63 g/mol | Legacy Database |
| cas-canonical-smile | Cl.N1=C(SC=C1C)N | Legacy Database | |
| cas-inchi | InChI=1S/C4H6N2S.ClH/c1-3-2-7-4(5)6-3;/h2H,1H3,(H2,5,6);1H | Legacy Database | |
| cas-inchi-key | InChIKey=WUMMJVLSXMYDRW-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 169-171 °C @ Solvent: Acetone, Water | Legacy Database | |
| cas-name | 2-Thiazolamine, 4-methyl-, hydrochloride (1:1) | Legacy Database | |
| LogP | 1.28589 | RDKit | |
| Molecular | Molecular Weight | 150.63400000000001 g/mol | RDKit |
| Exact | Exact Molecular Weight | 150.001846904 g/mol | RDKit |
| Heavy | Heavy Atom Count | 8 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 39.64 Ų | RDKit |
| Molar | Molar Refractivity | 36.50940000000001 | RDKit |
