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2-Methylsulfanylpyrimidin-4(3H)-one

CAS# 5751-20-2

2-Methylsulfanylpyrimidin-4(3H)-one

Catalog No. BCC8582----Order now to get a substantial discount!

Product Name & Size Price Stock
2-Methylsulfanylpyrimidin-4(3H)-one: 5mg $17 In Stock
2-Methylsulfanylpyrimidin-4(3H)-one: 10mg Please Inquire In Stock
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Chemical structure

2-Methylsulfanylpyrimidin-4(3H)-one

3D structure

Chemical Properties of 2-Methylsulfanylpyrimidin-4(3H)-one

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.
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.
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

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2-Methylsulfanylpyrimidin-4(3H)-one Molarity Calculator

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Preparing Stock Solutions of 2-Methylsulfanylpyrimidin-4(3H)-one

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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References on 2-Methylsulfanylpyrimidin-4(3H)-one

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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