6-Methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione supplier

Name
4(1H)-PYRIMIDINETHIONE, 6-METHYL-2-(TRIFLUOROMETHYL)-
EINECS
CAS No. 657-50-1
Density 1.47 g/cm³
Solubility
Melting Point
Formula C₆H₅F₃N₂S
Boiling Point 163.9 °C at 760 mmHg
Molecular Weight 194.1775
Flash Point 52.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Pyrimidinethione, 6-methyl-2-(trifluoromethyl)-;
PSA 60.77000
LogP 2.46640

6-Methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione Specification

The IUPAC name of 6-Methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione is 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione. With the CAS registry number 657-50-1, it is also named as 4(1H)-Pyrimidinethione, 6-methyl-2-(trifluoromethyl)-. In addition, its molecular formula is C₆H₅F₃N₂S and its molecular weight is 194.1775.

The other characteristics of 6-Methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione can be summarized as: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 47.69 Å²; (7)Index of Refraction: 1.534; (8)Molar Refractivity: 41.03 cm³; (9)Molar Volume: 131.8 cm³; (10)Polarizability: 16.26×10^-24cm³; (11)Surface Tension: 29.5 dyne/cm; (12)Density: 1.47 g/cm³; (13)Flash Point: 52.9 °C; (14)Enthalpy of Vaporization: 40.05 kJ/mol; (15)Boiling Point: 163.9 °C at 760 mmHg; (16)Vapour Pressure: 2.02 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: S=C/1/N=C(\N\C(=C\1)C)C(F)(F)F
(2)InChI: InChI=1/C6H5F3N2S/c1-3-2-4(12)11-5(10-3)6(7,8)9/h2H,1H3,(H,10,11,12)
(3)InChIKey: LPFRMDWRSJOKFR-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H5F3N2S/c1-3-2-4(12)11-5(10-3)6(7,8)9/h2H,1H3,(H,10,11,12)
(5)Std. InChIKey: LPFRMDWRSJOKFR-UHFFFAOYSA-N

Product Name

4(1H)-PYRIMIDINETHIONE, 6-METHYL-2-(TRIFLUOROMETHYL)-

6-Methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione Specification

Related Products

Hot Products