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Molecule
2-Thiazolamine, Hydrochloride (1:1)
CAS: 6142-05-8 · C3H5ClN2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6142-05-8
- Molecular Formula
- C3H5ClN2S
- Molecular Mass
- 136.61 g/mol
Identifiers
CAS Registry Number
6142-05-8
SMILES
Cl.N=c1[nH]ccs1
InChI Key
WDJXDOCQCALXMV-UHFFFAOYSA-N
InChI
InChI=1S/C3H4N2S.ClH/c4-3-5-1-2-6-3;/h1-2H,(H2,4,5);1H
Names and Synonyms
- 2-Thiazolamine, Hydrochloride (1:1) Systematic Name
- 2-Thiazolamine, hydrochloride (1:1) Synonym
- Thiazole, 2-amino-, hydrochloride Synonym
- 2-Thiazolamine, monohydrochloride Synonym
- 2-Aminothiazole hydrochloride Synonym
- 2-Thiazolamine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.61 g/mol | CAS Common Chemistry |
| 136.607 g/mol | RDKit | |
| Canonical SMILES | Cl.N=1C=CSC1N | CAS Common Chemistry |
| InChI | InChI=1S/C3H4N2S.ClH/c4-3-5-1-2-6-3;/h1-2H,(H2,4,5);1H | CAS Common Chemistry |
| InChI Key | InChIKey=WDJXDOCQCALXMV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 62-63 °C | CAS Common Chemistry |
| Name | 2-Thiazolamine, hydrochloride (1:1) | 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 | 0.9774700000000001 | RDKit |
| 0.9775 | RDKit | |
| Molar Refractivity | 31.7724 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 135.98619684 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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MW = 136.61 g/mol. Edit any field — others recompute live.
