2-Amino-4-methoxybenzothiazoleCAS# 5464-79-9 |
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Chemical structure
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| Cas No. | 5464-79-9 | SDF | Download SDF |
| PubChem ID | 21622 | Appearance | Powder |
| Formula | C8H8N2OS | M.Wt | 180 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | 4-methoxy-1,3-benzothiazol-2-amine | ||
| SMILES | COC1=C2C(=CC=C1)SC(=N2)N | ||
| Standard InChIKey | YEBCRAVYUWNFQT-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C8H8N2OS/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3,(H2,9,10) | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
2-Amino-4-methoxybenzothiazole Dilution Calculator
2-Amino-4-methoxybenzothiazole Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 5.5556 mL | 27.7778 mL | 55.5556 mL | 111.1111 mL | 138.8889 mL |
| 5 mM | 1.1111 mL | 5.5556 mL | 11.1111 mL | 22.2222 mL | 27.7778 mL |
| 10 mM | 0.5556 mL | 2.7778 mL | 5.5556 mL | 11.1111 mL | 13.8889 mL |
| 50 mM | 0.1111 mL | 0.5556 mL | 1.1111 mL | 2.2222 mL | 2.7778 mL |
| 100 mM | 0.0556 mL | 0.2778 mL | 0.5556 mL | 1.1111 mL | 1.3889 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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Structural, vibrational, electronic investigations and quantum chemical studies of 2-amino-4-methoxybenzothiazole.[Pubmed:23220675]
Spectrochim Acta A Mol Biomol Spectrosc. 2013 Feb;102:327-40.
Extensive vibrational investigations of 2-Amino-4-methoxybenzothiazole have been carried out with FTIR and FT-Raman spectral techniques. The electronic structure of the molecule has been analysed by UV-Visible and NMR spectroscopies. The DFT studies were carried out with B3LYP and HF methods utilising 6-31G(d,p), 6-311++G(d,p) and cc-pVDZ basis sets to determine the structural, thermodynamical, vibrational, electronic characteristics of the compound and also to understand the electronic and steric influence of the methoxy amino groups on the skeletal frequencies. The mixing of the fundamental modes was determined with the help of total energy distribution (TED). The energies of the frontier molecular orbitals have also been determined. The kinetic and thermodynamic stability and chemical hardness of the molecule have been determined. Complete NBO analysis was also carried out to find out the intramolecular electronic interactions and their stabilisation energy. (1)H and (13)C NMR chemical shifts and the electronic transitions of the molecule are also discussed.
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