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Molecule
4-(4-Chlorophenyl)-2-Thiazolamine
CAS: 2103-99-3 · C9H7ClN2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2103-99-3
- Molecular Formula
- C9H7ClN2S
- Molecular Mass
- 210.69 g/mol
Identifiers
CAS Registry Number
2103-99-3
SMILES
N=c1[nH]c(-c2ccc(Cl)cc2)cs1
InChI Key
DWGWNNCHJPKZNC-UHFFFAOYSA-N
InChI
InChI=1S/C9H7ClN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
Names and Synonyms
- 4-(4-Chlorophenyl)-2-Thiazolamine Synonym
- 2-Thiazolamine, 4-(4-chlorophenyl)- Synonym
- Thiazole, 2-amino-4-(p-chlorophenyl)- Synonym
- 4-(4-Chlorophenyl)-2-thiazolamine Synonym
- 2-Amino-4-(p-chlorophenyl)thiazole Synonym
- 4-(p-Chlorophenyl)-2-aminothiazole Synonym
- 2-Amino-4-(4-chlorophenyl)thiazole Synonym
- T 157602 Synonym
- 4-(4′-Chlorophenyl)-2-aminothiazole Synonym
- NSC 372682 Synonym
- 4-(4-Chlorophenyl)thiazol-2-amine Synonym
- 4-(4-Chlorophenyl)thiazol-2-ylamine Synonym
- 4-(4-Chlorophenyl)-1,3-thiazol-2-amine Synonym
- 4-(4-Chlorophenyl)-2-aminothiazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Melting Point | 163-164 °C | CAS Common Chemistry |
| InChI | InChI=1S/C9H7ClN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12) | CAS Common Chemistry |
| Molecular Mass | 210.69 g/mol | CAS Common Chemistry |
| 210.68900000000002 g/mol | RDKit | |
| 210.689 g/mol | RDKit | |
| Canonical SMILES | ClC=1C=CC(=CC1)C=2N=C(SC2)N | CAS Common Chemistry |
| InChI Key | InChIKey=DWGWNNCHJPKZNC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(4-Chlorophenyl)-2-thiazolamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 39.64 Ų | RDKit |
| LogP | 2.8760700000000003 | RDKit |
| 2.8761 | RDKit | |
| Molar Refractivity | 54.97040000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 210.001846904 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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.
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MW = 210.69 g/mol. Edit any field — others recompute live.
