Product Name

  • Name

    6-FLUOROTHYMINE

  • EINECS
  • CAS No. 31458-36-3
  • Article Data3
  • CAS DataBase
  • Density 1.42 g/cm3
  • Solubility
  • Melting Point
  • Formula C5H5FN2O2
  • Boiling Point
  • Molecular Weight 144.105
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 31458-36-3 (6-FLUOROTHYMINE)
  • Hazard Symbols
  • Synonyms Thymine,6-fluoro- (8CI);6-Fluoro-5-methyluracil;6-Fluorothymine;
  • PSA 65.72000
  • LogP -0.48930

2,4(1H,3H)-Pyrimidinedione,6-fluoro-5-methyl- Specification

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

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