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2-Thiazolamine, 4,5-Dihydro-, Hydrochloride (1:1)
CAS: 3882-98-2 | C3H7ClN2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3882-98-2
Molecular Formula:
C3H7ClN2S
Molecular Weight:
138.62300000000002 g/mol
Names and Synonyms:
2-Thiazolamine, 4,5-Dihydro-, Hydrochloride (1:1)
2-Thiazolamine, 4,5-dihydro-, hydrochloride (1:1)
2-Thiazolamine, 4,5-dihydro-, monohydrochloride
Thiazolidine, 2-imino-, hydrochloride
2-Amino-1,3-thiazoline monohydrochloride
4,5-Dihydrothiazol-2-amine monohydrochloride
2-Amino-2-thiazoline hydrochloride
Identifiers:
SMILES:
Cl.N=C1NCCS1
InChI:
InChI=1S/C3H6N2S.ClH/c4-3-5-1-2-6-3;/h1-2H2,(H2,4,5);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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 138.62 g/mol | Legacy Database |
| cas-canonical-smile | Cl.N1=C(SCC1)N None | Legacy Database |
| cas-inchi | InChI=1S/C3H6N2S.ClH/c4-3-5-1-2-6-3;/h1-2H2,(H2,4,5);1H None | Legacy Database |
| cas-inchi-key | InChIKey=CODJLHDDIDUKMD-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 198 °C None | Legacy Database |
| cas-name | 2-Thiazolamine, 4,5-dihydro-, hydrochloride (1:1) None | Legacy Database |
| LogP | 0.67937 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 138.62300000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 138.001846904 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 | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.88 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.43540000000001 | RDKit |
