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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 Mass:
102.16 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)
Key Properties
Melting Point
85.3 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.16 g/mol | CAS Common Chemistry |
| 102.162 g/mol | RDKit | |
| 102.02516919199999 g/mol | RDKit | |
| Canonical SMILES | N1=C(SCC1)N | CAS Common Chemistry |
| InChI | InChI=1S/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=REGFWZVTTFGQOJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 85.3 °C | CAS Common Chemistry |
| Name | 4,5-Dihydro-2-thiazolamine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.88 Ų | RDKit |
| LogP | 0.2575700000000001 | RDKit |
| Molar Refractivity | 28.187399999999997 | RDKit |
