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368-54-7

368-54-7 Structure

368-54-7 Structure
IdentificationMore
[Name]

4-HYDROXY-6-(TRIFLUOROMETHYL)PYRIMIDINE-2-THIOL
[CAS]

368-54-7
[Synonyms]

2-MERCAPTO-4-HYDROXY-6-TRIFLUOROMETHYLPYRIMIDINE
2-MERCAPTO-6-(TRIFLUOROMETHYL)PYRIMIDIN-4-OL
2-SULFANYL-6-(TRIFLUOROMETHYL)-4-PYRIMIDINOL
4-HYDROXY-2-MERCAPTO-6-(TRIFLUOROMETHYL)PYRIMIDINE
4-HYDROXY-6-(TRIFLUOROMETHYL)PYRIMIDINE-2-THIOL
6-HYDROXY-2-MERCAPTO-4-TRIFLUOROMETHYLPYRIMIDINE
6-(TRIFLUOROMETHYL)-2-THIOURACIL
BUTTPARK 6\01-78
IFLAB-BB F2124-0845
URACIL, 2-THIO-6-(TRIFLUOROMETHYL)-
4(1H)-Pyrimidinone, 2,3-dihydro-2-thioxo-6-(trifluoromethyl)-
6-(trifluoromethyl)-2-mercaptopyrimidin-4-ol
4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol, 97+%
[Molecular Formula]

C5H3F3N2OS
[MDL Number]

MFCD00112978
[Molecular Weight]

196.15
[MOL File]

368-54-7.mol
Chemical PropertiesBack Directory
[Melting point ]

246-250 °C (lit.)
[density ]

1.63±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

soluble in Methanol
[form ]

Powder
[pka]

6.21±0.20(Predicted)
[color ]

White to Almost white
[λmax]

270nm(MeOH)(lit.)
[InChI]

1S/C5H3F3N2OS/c6-5(7,8)2-1-3(11)10-4(12)9-2/h1H,(H2,9,10,11,12)
[InChIKey]

YZAOETRYQWFEOY-UHFFFAOYSA-N
[SMILES]

Oc1cc(nc(S)n1)C(F)(F)F
[CAS DataBase Reference]

368-54-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Uracil, 2-thio-6-(trifluoromethyl)-(368-54-7)
Questions And AnswerBack Directory
[Uses]

4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol is a pyrimidine derivative that can be used to prepare drugs for cancer treatment, antibacterial activity, antimalarial treatment, and arthritis treatment; it can also be used in the synthesis of herbicides, insecticides, and fungicides. For example, the antimalarial drug pyrimethamine, the antihypertensive drug minoxidil, the anticancer drug 5-fluorouracil, and the pesticide fungicides ethirimol and methylpyrimethanil all contain pyrimidine structures.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29335990
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

4-HYDROXY-6-(TRIFLUOROMETHYL)PYRIMIDINE-2-THIOL(368-54-7)1HNMR
4-HYDROXY-6-(TRIFLUOROMETHYL)PYRIMIDINE-2-THIOL(368-54-7)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol, 97+%(368-54-7)
[Sigma Aldrich]

368-54-7(sigmaaldrich)
Hazard InformationBack Directory
[General Description]

4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol (HTPT) can form a stable monolayer on the Au(111) surface.
[Synthesis]

A 250mL three-necked flask equipped with mechanical stirring and a reflux condenser tube was charged with 27.6g (0.15 mol) ethyl trifluoroacetoacetate, 11.4g (0.15 mol) thiourea,100 mLDMF, heated to 120°C, and the reaction was carried out for 4 hours. Coo
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