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Molecule
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
Identifiers
CAS Registry Number
1603-91-4
SMILES
Cc1csc(=N)[nH]1
InChI Key
OUQMXTJYCAJLGO-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N2S/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6)
Names and Synonyms
- 2-Amino-4-Methylthiazole Synonym
- 2-Thiazolamine, 4-methyl- Synonym
- Thiazole, 2-amino-4-methyl- Synonym
- 4-Methyl-2-thiazolamine Synonym
- 2-Amino-4-methylthiazole Synonym
- Normotiroide Synonym
- 4-Methyl-2-aminothiazole Synonym
- 4-Methyl-2-thiazolylamine Synonym
- 4-Methyl-1,3-thiazol-2-amine Synonym
- Nomortiroide Synonym
- NSC 40462 Synonym
- Aminomethiazole bitartrate Synonym
- 2-Amino-4-methyl-1,3-thiazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.17 g/mol | CAS Common Chemistry |
| 114.173 g/mol | RDKit | |
| 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 |
| 0.8641 | RDKit | |
| Molar Refractivity | 29.261400000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 114.02516919199999 g/mol | RDKit |
| Boiling Point | 124-126 °C @ 20 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| 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.
External Resources
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MW = 114.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6N2S.
