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2-Ethylthio-4-hydroxy-6-trifluoromethylpyrimidine (657-58-9)

Identification
Name:2-Ethylthio-4-hydroxy-6-trifluoromethylpyrimidine
Synonyms:2-Ethylthio-6-trifluoromethyl-4(1H)-pyrimidinone
CAS:657-58-9
Molecular Formula: C7H7F3N2OS
Molecular Weight: 224.20
InChI: InChI=1/C7H7F3N2OS/c1-2-14-6-11-4(7(8,9)10)3-5(13)12-6/h3H,2H2,1H3,(H,11,12,13)
Molecular Structure: (C7H7F3N2OS) 2-Ethylthio-6-trifluoromethyl-4(1H)-pyrimidinone
Properties
Density:1.48
Refractive index:1.533
Specification:

The 2-Ethylthio-4-hydroxy-6-trifluoromethylpyrimidine with its cas register number is 657-58-9. It also can be called as 2-Ethylthio-6-trifluoromethyl-4(1H)-pyrimidinone and the Systematic name about this chemical is 2-(ethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4(1H)-one.

Physical properties about 2-Ethylthio-4-hydroxy-6-trifluoromethylpyrimidine are: (1)ACD/LogP: 2.57; (2)ACD/LogD (pH 5.5): 2.16; (3)ACD/LogD (pH 7.4): 0.82; (4)ACD/BCF (pH 5.5): 20.54; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 231.63; (7)ACD/KOC (pH 7.4): 10.52; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 57.97Å2; (12)Index of Refraction: 1.533; (13)Molar Refractivity: 46.98 cm3; (14)Molar Volume: 151.1 cm3; (15)Polarizability: 18.62x10-24cm3; (16)Surface Tension: 36.8 dyne/cm; (17)Enthalpy of Vaporization: 46.23 kJ/mol; (18)Vapour Pressure: 0.085 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C=1NC(\SCC)=N/C(=O)C=1
(2)InChI: InChI=1/C7H7F3N2OS/c1-2-14-6-11-4(7(8,9)10)3-5(13)12-6/h3H,2H2,1H3,(H,11,12,13)
(3)InChIKey: SGRGYWVPMIRUTA-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H7F3N2OS/c1-2-14-6-11-4(7(8,9)10)3-5(13)12-6/h3H,2H2,1H3,(H,11,12,13)
(5)Std. InChIKey: SGRGYWVPMIRUTA-UHFFFAOYSA-N

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