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2-Thiazolamine, Hydrochloride (1:1)
CAS: 6142-05-8 | C3H5ClN2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6142-05-8
Molecular Formula:
C3H5ClN2S
Molecular Weight:
136.607 g/mol
Names and Synonyms:
2-Thiazolamine, Hydrochloride (1:1)
2-Thiazolamine hydrochloride
2-Aminothiazole hydrochloride
2-Thiazolamine, monohydrochloride
Thiazole, 2-amino-, hydrochloride
2-Thiazolamine, hydrochloride (1:1)
Identifiers:
SMILES:
Cl.N=c1[nH]ccs1
InChI:
InChI=1S/C3H4N2S.ClH/c4-3-5-1-2-6-3;/h1-2H,(H2,4,5);1H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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6
5
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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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 136.607 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 135.98619684 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 39.64 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.9774700000000001 | RDKit |
| molecular_mass | 136.61 g/mol | Legacy Database |
| cas-canonical-smile | Cl.N=1C=CSC1N None | Legacy Database |
| cas-inchi | InChI=1S/C3H4N2S.ClH/c4-3-5-1-2-6-3;/h1-2H,(H2,4,5);1H None | Legacy Database |
| cas-inchi-key | InChIKey=WDJXDOCQCALXMV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 62-63 °C None | Legacy Database |
| cas-name | 2-Thiazolamine, hydrochloride (1:1) None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.7724 | RDKit |
