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