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Molecule
2-Thiazolamine, 4-Methyl-, Hydrochloride (1:1)
CAS: 6142-15-0 · C4H7ClN2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6142-15-0
- Molecular Formula
- C4H7ClN2S
- Molecular Mass
- 150.63 g/mol
Identifiers
CAS Registry Number
6142-15-0
SMILES
Cc1csc(=N)[nH]1.Cl
InChI Key
WUMMJVLSXMYDRW-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N2S.ClH/c1-3-2-7-4(5)6-3;/h2H,1H3,(H2,5,6);1H
Names and Synonyms
- 2-Thiazolamine, 4-Methyl-, Hydrochloride (1:1) Systematic Name
- 2-Thiazolamine, 4-methyl-, hydrochloride (1:1) Synonym
- Thiazole, 2-amino-4-methyl-, monohydrochloride Synonym
- 2-Thiazolamine, 4-methyl-, monohydrochloride Synonym
- Thiazole, 2-amino-4-methyl-, hydrochloride Synonym
- 2-Amino-4-methylthiazole hydrochloride Synonym
- 4-Methyl-2-thiazolamine monohydrochloride Synonym
- 4-Methylthiazol-2-amine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.63 g/mol | CAS Common Chemistry |
| 150.63400000000001 g/mol | RDKit | |
| 150.634 g/mol | RDKit | |
| Canonical SMILES | Cl.N1=C(SC=C1C)N | CAS Common Chemistry |
| InChI | InChI=1S/C4H6N2S.ClH/c1-3-2-7-4(5)6-3;/h2H,1H3,(H2,5,6);1H | CAS Common Chemistry |
| InChI Key | InChIKey=WUMMJVLSXMYDRW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 169-171 °C @ Solvent: Acetone, Water | CAS Common Chemistry |
| Name | 2-Thiazolamine, 4-methyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 1.28589 | RDKit |
| 1.2859 | RDKit | |
| Molar Refractivity | 36.50940000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 150.001846904 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 150.63 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H7ClN2S.
