33034-67-2 Purity
99%
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Specification
The molecular formula of Trifluorothymine is C5H3F3N2O2.
Trifluorothymine was created on March 26, 2005, and last modified on December 30, 2023.
The IUPAC name of Trifluorothymine is 5-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
The InChI of Trifluorothymine is InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12).
The InChIKey of Trifluorothymine is LMNPKIOZMGYQIU-UHFFFAOYSA-N.
The Canonical SMILES of Trifluorothymine is C1=C(C(=O)NC(=O)N1)C(F)(F)F.
The CAS number of Trifluorothymine is 54-20-6.
The molecular weight of Trifluorothymine is 180.08 g/mol.
Trifluorothymine has 2 hydrogen bond donor counts.
Trifluorothymine has 5 hydrogen bond acceptor counts.
Reference: [1] Patent: EP1947092, 2008, A1, . Location in patent: Page/Page column 36; 37
Reference: [1] Angewandte Chemie - International Edition, 2015, vol. 54, # 12, p. 3712 - 3716[2] Angew. Chem., 2015, vol. 127, # 12, p. 3783 - 3787,5
[3] Patent: WO2015/168368, 2015, A1, . Location in patent: Paragraph 00234; 00235
Reference: [1]Synthetic Communications,1988,vol. 18,p. 213 - 220
Reference: [1]Bulletin of the Chemical Society of Japan,1988,vol. 61,p. 3531 - 3538
Reference: [1]Journal fur praktische Chemie (Leipzig 1954),1984,vol. 326,p. 985 - 993
Reference: [1] Patent: US2005/256145, 2005, A1, . Location in patent: Page/Page column 43
* For details of the synthesis route, please refer to the original source to ensure accuracy.