Back to Search
Molecule
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
Identifiers
CAS Registry Number
1779-81-3
SMILES
N=C1NCCS1
InChI Key
REGFWZVTTFGQOJ-UHFFFAOYSA-N
InChI
InChI=1S/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)
Names and Synonyms
- 4,5-Dihydro-2-Thiazolamine Synonym
- 2-Thiazolamine, 4,5-dihydro- Synonym
- 2-Thiazoline, 2-amino- Synonym
- Thiazolidine, 2-imino- Synonym
- 4,5-Dihydro-2-thiazolamine Synonym
- 2-Thiazolidinimine Synonym
- 2-Iminothiazolidine Synonym
- 2-Amino-2-thiazoline Synonym
- 2-Amino-Δ2-thiazoline Synonym
- 2-Aminothiazoline Synonym
- 2-Amino-4,5-dihydrothiazole Synonym
- 2-Thiazolin-2-amine Synonym
- 2-Amino-4,5-dihydro-1,3-thiazole Synonym
- Camfazolinum Synonym
- NSC 24626 Synonym
- NSC 3110 Synonym
- 4,5-Dihydro-1,3-thiazol-2-amine Synonym
- 4,5-Dihydrothiazol-2-amine Synonym
- 4,5-Dihydrothiazol-2-ylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.16 g/mol | CAS Common Chemistry |
| 102.162 g/mol | RDKit | |
| 102.155 g/mol | chempirical lib | |
| 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 |
| 0.2576 | RDKit | |
| Molar Refractivity | 28.187399999999997 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 102.02516919199999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 102.16 g/mol. Edit any field — others recompute live.
