-
Name
5-FLUORO-4-MERCAPTO-2-HYDROXYPYRIMIDINE
- EINECS
- CAS No. 671-41-0
- Article Data8
- CAS DataBase
- Density 1.57 g/cm3
- Solubility
- Melting Point
- Formula C4H3FN2OS
- Boiling Point
- Molecular Weight 146.145
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Uracil,5-fluoro-4-thio- (7CI,8CI);5-Fluoro-4-thiouracil;NSC 526699;
- PSA 80.74000
- LogP 0.57160
2(1H)-Pyrimidinone,5-fluoro-3,4-dihydro-4-thioxo- Specification
This chemical is called 2(1H)-Pyrimidinone,5-fluoro-3,4-dihydro-4-thioxo-, and its systematic name is 5-fluoro-4-thioxo-3,4-dihydropyrimidin-2(1H)-one. With the molecular formula of C4H3FN2OS, its molecular weight is 146.14. The CAS registry number of this chemical is 671-41-0. Additionally, its product category is Pyrimidine.
Other characteristics of the 2(1H)-Pyrimidinone,5-fluoro-3,4-dihydro-4-thioxo- can be summarised as followings: (1)ACD/LogP: -0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.03; (4)ACD/LogD (pH 7.4): -2.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.29; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 55.64 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 32.85 cm3; (15)Molar Volume: 92.7 cm3; (16)Polarizability: 13.02×10-24cm3; (17)Surface Tension: 63.6 dyne/cm; (18)Density: 1.57 g/cm3.
Production method of this chemical: The 2(1H)-Pyrimidinone,5-fluoro-3,4-dihydro-4-thioxo- could be obtained by the reactant of 5-fluoro-1H-pyrimidine-2,4-dione. This reaction needs the reagent of Lawesson reagent, and the solvent of pyridine. The yield is 69 %. In addition, this reaction should be taken for 8 hours. The other condition is heating.
-Pyrimidinone,5-fluoro-3,4-dihydro-4-thioxo-.jpg)
You can still convert the following datas into molecular structure:
1.SMILES: O=C1N\C=C(\F)C(=S)N1
2.InChI: InChI=1/C4H3FN2OS/c5-2-1-6-4(8)7-3(2)9/h1H,(H2,6,7,8,9)
3.InChIKey: SOEINGHMICSQAA-UHFFFAOYAN
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