2-Methylsulfanylpyrimidin-4(3H)-oneCAS# 5751-20-2 |
Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 5751-20-2 | SDF | Download SDF |
| PubChem ID | 79823 | Appearance | Powder |
| Formula | C5H6N2OS | M.Wt | 142 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | 2-methylsulfanyl-1H-pyrimidin-6-one | ||
| SMILES | CSC1=NC=CC(=O)N1 | ||
| Standard InChIKey | UYHSQVMHSFXUOA-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C5H6N2OS/c1-9-5-6-3-2-4(8)7-5/h2-3H,1H3,(H,6,7,8) | ||
| 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-Methylsulfanylpyrimidin-4(3H)-one Dilution Calculator
2-Methylsulfanylpyrimidin-4(3H)-one Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 7.0423 mL | 35.2113 mL | 70.4225 mL | 140.8451 mL | 176.0563 mL |
| 5 mM | 1.4085 mL | 7.0423 mL | 14.0845 mL | 28.169 mL | 35.2113 mL |
| 10 mM | 0.7042 mL | 3.5211 mL | 7.0423 mL | 14.0845 mL | 17.6056 mL |
| 50 mM | 0.1408 mL | 0.7042 mL | 1.4085 mL | 2.8169 mL | 3.5211 mL |
| 100 mM | 0.0704 mL | 0.3521 mL | 0.7042 mL | 1.4085 mL | 1.7606 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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5,5'-Methylenebis[6-amino-3-methyl-2-methylsulfanylpyrimidin-4(3H)-one]: an unusual molecular geometry within a hydrogen-bonded molecular ribbon.[Pubmed:24005518]
Acta Crystallogr C. 2013 Sep;69(Pt 9):1043-6.
The molecules of the title compound, C13H18N6O2S2, lie across twofold rotation axes in the space group C2/c. Although the pyrimidine ring is effectively planar, the bridging methylene C atom is displaced from the plane of the pyrimidine ring by 0.213 (2) A, while the C-C-C angle at the bridging C atom is 120.3 (2) degrees . The molecule contains two symmetry-related N-H...O hydrogen bonds, generating S(8) motifs, and intermoecular N-H...O hydrogen bonds link the molecules into a ribbon of edge-fused rings.
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