Cas no 89185-12-6 (4(3H)-Pyrimidinone, 3,3'-(1,2-ethanediyl)bis[2-(methylthio)-)
89185-12-6 structure
Product Name:4(3H)-Pyrimidinone, 3,3'-(1,2-ethanediyl)bis[2-(methylthio)-
CAS No:89185-12-6
MF:C12H14N4O2S2
MW:310.395159244537
CID:609588
PubChem ID:13125516
Update Time:2025-04-19
4(3H)-Pyrimidinone, 3,3'-(1,2-ethanediyl)bis[2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
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- 2-methylsulfanyl-3-[2-(2-methylsulfanyl-6-oxopyrimidin-1-yl)ethyl]pyrimidin-4-one
- DTXSID40519883
- 3,3'-(Ethane-1,2-diyl)bis[2-(methylsulfanyl)pyrimidin-4(3H)-one]
- 89185-12-6
- 4(3H)-Pyrimidinone, 3,3'-(1,2-ethanediyl)bis[2-(methylthio)-
-
- Inchi： 1S/C12H14N4O2S2/c1-19-11-13-5-3-9(17)15(11)7-8-16-10(18)4-6-14-12(16)20-2/h3-6H,7-8H2,1-2H3
- InChI Key： SWKHPGNFECIRIQ-UHFFFAOYSA-N
- SMILES： S(C)C1=NC=CC(N1CCN1C(C=CN=C1SC)=O)=O
Computed Properties
- Exact Mass: 310.05581805g/mol
- Monoisotopic Mass: 310.05581805g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 492
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 116?2
4(3H)-Pyrimidinone, 3,3'-(1,2-ethanediyl)bis[2-(methylthio)- Related Literature
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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2. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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