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CAS No.: | 31458-36-3 |
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Name: | 6-FLUOROTHYMINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C5H5FN2O2 |
Molecular Weight: | 144.105 |
Synonyms: | Thymine,6-fluoro- (8CI);6-Fluoro-5-methyluracil;6-Fluorothymine; |
Density: | 1.42 g/cm3 |
PSA: | 65.72000 |
LogP: | -0.48930 |
The 2,4(1H,3H)-Pyrimidinedione,6-fluoro-5-methyl-, with the CAS registry number 31458-36-3, is also known as 6-Fluorothymine. It belongs to the product categories of Pyrimidine; Miscellaneous Biochemicals. This chemical's molecular formula is C5H5FN2O2 and molecular weight is 144.1038. Its systematic name is called 6-fluoro-5-methylpyrimidine-2,4(1H,3H)-dione.
Physical properties of 2,4(1H,3H)-Pyrimidinedione,6-fluoro-5-methyl-: (1)ACD/LogP: -0.19; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 17.89; (5)ACD/KOC (pH 7.4): 3.81; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)Index of Refraction: 1.511; (9)Molar Refractivity: 30.25 cm3; (10)Molar Volume: 100.9 cm3; (11)Surface Tension: 41.7 dyne/cm; (12)Density: 1.42 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: F\C1=C(\C(=O)NC(=O)N1)C
(2)InChI: InChI=1/C5H5FN2O2/c1-2-3(6)7-5(10)8-4(2)9/h1H3,(H2,7,8,9,10)
(3)InChIKey: YDRTVDABIUUNKS-UHFFFAOYAC