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2-Amino-4-Methylthiazole
CAS: 1603-91-4 | C4H6N2S
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1603-91-4
Molecular Formula:
C4H6N2S
Molecular Mass:
114.17 g/mol
Names and Synonyms:
2-Amino-4-Methylthiazole
2-Thiazolamine, 4-methyl-
Thiazole, 2-amino-4-methyl-
4-Methyl-2-thiazolamine
2-Amino-4-methylthiazole
Normotiroide
4-Methyl-2-aminothiazole
4-Methyl-2-thiazolylamine
4-Methyl-1,3-thiazol-2-amine
Nomortiroide
NSC 40462
Aminomethiazole bitartrate
2-Amino-4-methyl-1,3-thiazole
Identifiers:
SMILES:
Cc1csc(=N)[nH]1
InChI:
InChI=1S/C4H6N2S/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6)
Key Properties
Boiling Point
124-126 °C @ Press: 20 Torr
CAS Common Chemistry
Melting Point
45.5 °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 | 114.17 g/mol | CAS Common Chemistry |
| 114.173 g/mol | RDKit | |
| 114.02516919199999 g/mol | RDKit | |
| Boiling Point | 124-126 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | N1=C(SC=C1C)N | CAS Common Chemistry |
| InChI | InChI=1S/C4H6N2S/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=OUQMXTJYCAJLGO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45.5 °C | CAS Common Chemistry |
| Name | 2-Amino-4-methylthiazole | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | 0.86409 | RDKit |
| Molar Refractivity | 29.261400000000002 | RDKit |
