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Molecule
2-Thiazolamine, 4,5-Dihydro-, Hydrochloride (1:1)
CAS: 3882-98-2 · C3H7ClN2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3882-98-2
- Molecular Formula
- C3H7ClN2S
- Molecular Mass
- 138.62 g/mol
Identifiers
CAS Registry Number
3882-98-2
SMILES
Cl.N=C1NCCS1
InChI Key
CODJLHDDIDUKMD-UHFFFAOYSA-N
InChI
InChI=1S/C3H6N2S.ClH/c4-3-5-1-2-6-3;/h1-2H2,(H2,4,5);1H
Names and Synonyms
- 2-Thiazolamine, 4,5-Dihydro-, Hydrochloride (1:1) Synonym
- 2-Thiazolamine, 4,5-dihydro-, hydrochloride (1:1) Synonym
- 2-Thiazolamine, 4,5-dihydro-, monohydrochloride Synonym
- Thiazolidine, 2-imino-, hydrochloride Synonym
- 2-Amino-1,3-thiazoline monohydrochloride Synonym
- 4,5-Dihydrothiazol-2-amine monohydrochloride Synonym
- 2-Amino-2-thiazoline hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.62 g/mol | CAS Common Chemistry |
| 138.62300000000002 g/mol | RDKit | |
| 138.623 g/mol | RDKit | |
| 138.613 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N1=C(SCC1)N | CAS Common Chemistry |
| InChI | InChI=1S/C3H6N2S.ClH/c4-3-5-1-2-6-3;/h1-2H2,(H2,4,5);1H | CAS Common Chemistry |
| InChI Key | InChIKey=CODJLHDDIDUKMD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 198 °C | CAS Common Chemistry |
| Name | 2-Thiazolamine, 4,5-dihydro-, 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 | 0 | RDKit |
| Topological Polar Surface Area | 35.88 Ų | RDKit |
| LogP | 0.67937 | RDKit |
| 0.6794 | RDKit | |
| Molar Refractivity | 35.43540000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 138.001846904 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 138.62 g/mol. Edit any field — others recompute live.
