Cas no 88191-89-3 (4(1H)-Pyrimidinone, 2,3-dihydro-1-methyl-2-thioxo-6-(trifluoromethyl)-)
88191-89-3 structure
Product Name:4(1H)-Pyrimidinone, 2,3-dihydro-1-methyl-2-thioxo-6-(trifluoromethyl)-
CAS No:88191-89-3
MF:C6H5F3N2OS
MW:210.176910161972
CID:641584
PubChem ID:22340989
Update Time:2025-04-19
4(1H)-Pyrimidinone, 2,3-dihydro-1-methyl-2-thioxo-6-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
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- 4(1H)-Pyrimidinone, 2,3-dihydro-1-methyl-2-thioxo-6-(trifluoromethyl)-
- 1-methyl-2-sulfanylidene-6-(trifluoromethyl)pyrimidin-4-one
- SCHEMBL6282308
- 1-Methyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one
- DTXSID30624990
- 2,3-Dihydro-1-methyl-2-thioxo-6-(trifluoromethyl)-4(1H)-pyrimidinone
- 88191-89-3
- 1-Methyl-2-sulfanylidene-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one
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- Inchi： 1S/C6H5F3N2OS/c1-11-3(6(7,8)9)2-4(12)10-5(11)13/h2H,1H3,(H,10,12,13)
- InChI Key： TWQXWIUOLCICBL-UHFFFAOYSA-N
- SMILES： S=C1NC(C=C(C(F)(F)F)N1C)=O
Computed Properties
- Exact Mass: 210.00746845g/mol
- Monoisotopic Mass: 210.00746845g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 297
- 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: 0.7
- Topological Polar Surface Area: 64.4?2
4(1H)-Pyrimidinone, 2,3-dihydro-1-methyl-2-thioxo-6-(trifluoromethyl)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
88191-89-3 (4(1H)-Pyrimidinone, 2,3-dihydro-1-methyl-2-thioxo-6-(trifluoromethyl)-) Related Products
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