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4,5-Dihydro-2-Thiazolamine
CAS: 1779-81-3 | C3H6N2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1779-81-3
Molecular Formula:
C3H6N2S
Molecular Weight:
102.162 g/mol
Names and Synonyms:
4,5-Dihydro-2-Thiazolamine
2-Thiazolamine, 4,5-dihydro-
2-Thiazoline, 2-amino-
Thiazolidine, 2-imino-
4,5-Dihydro-2-thiazolamine
2-Thiazolidinimine
2-Iminothiazolidine
2-Amino-2-thiazoline
2-Amino-Δ2-thiazoline
2-Aminothiazoline
2-Amino-4,5-dihydrothiazole
2-Thiazolin-2-amine
2-Amino-4,5-dihydro-1,3-thiazole
Camfazolinum
NSC 24626
NSC 3110
4,5-Dihydro-1,3-thiazol-2-amine
4,5-Dihydrothiazol-2-amine
4,5-Dihydrothiazol-2-ylamine
Identifiers:
SMILES:
N=C1NCCS1
InChI:
InChI=1S/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 102.162 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 102.02516919199999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.2575700000000001 | RDKit |
| molecular_mass | 102.16 g/mol | Legacy Database |
| cas-canonical-smile | N1=C(SCC1)N None | Legacy Database |
| cas-inchi | InChI=1S/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5) None | Legacy Database |
| cas-inchi-key | InChIKey=REGFWZVTTFGQOJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 85.3 °C None | Legacy Database |
| cas-name | 4,5-Dihydro-2-thiazolamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.187399999999997 | RDKit |
