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2-Aminothiazole
CAS: 96-50-4 | C3H4N2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
96-50-4
Molecular Formula:
C3H4N2S
Molecular Mass:
100.15 g/mol
Names and Synonyms:
2-Aminothiazole
2-Thiazolamine
Thiazole, 2-amino-
4-Thiazoline, 2-imino-
Abadol
Abadole
Aminothiazole
2-Aminothiazole
Basedol
2-Thiazolylamine
2-Amino-1,3-thiazole
NSC 1900
1,3-Thiazol-2-amine
Identifiers:
SMILES:
N=c1[nH]ccs1
InChI:
InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
Key Properties
Boiling Point
140 °C @ Press: 12 Torr
CAS Common Chemistry
Melting Point
93 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 100.15 g/mol | CAS Common Chemistry |
| 100.14600000000002 g/mol | RDKit | |
| 100.009519128 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Aminothiazole | CAS Common Chemistry |
| Boiling Point | 140 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | N=1C=CSC1N | CAS Common Chemistry |
| InChI | InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=RAIPHJJURHTUIC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93 °C | CAS Common Chemistry |
| Name | 2-Aminothiazole | 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 | 1 | RDKit |
| Topological Polar Surface Area | 39.64 Ų | RDKit |
| LogP | 0.5556700000000001 | RDKit |
| Molar Refractivity | 24.5244 | RDKit |
