Pyrimidine,2-(methylthio)-4-(trifluoromethyl)- supplier

Name
4-trifluoromethyl-2-methylthio-pyrimidine
EINECS
CAS No. 136547-20-1
Article Data5
CAS DataBase
Density 1.4 g/cm³
Solubility
Melting Point
Formula C₆H₅F₃N₂S
Boiling Point 225.6 °C at 760 mmHg
Molecular Weight 194.18
Flash Point 90.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Methylsulfanyl)-4-(trifluoromethyl)pyrimidine;
PSA 51.08000
LogP 2.21730

Pyrimidine,2-(methylthio)-4-(trifluoromethyl)- Specification

The Pyrimidine, 2-(methylthio)-4-(trifluoromethyl)-, with the CAS registry number 136547-20-1, is also known as 4-Trifluoromethyl-2-methylthio-pyrimidine. This chemical's molecular formula is C₆H₅F₃N₂S and molecular weight is 194.18. What's more, its systematic name is 2-(Methylsulfanyl)-4-(trifluoromethyl)pyrimidine.

Physical properties about Pyrimidine, 2-(methylthio)-4-(trifluoromethyl)- are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.58; (5)ACD/BCF (pH 5.5): 9.38; (6)ACD/BCF (pH 7.4): 9.38; (7)ACD/KOC (pH 5.5): 172.76; (8)ACD/KOC (pH 7.4): 172.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.08 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 39.97 cm³; (15)Molar Volume: 138.4 cm³; (16)Polarizability: 15.84×10^-24 cm³; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.4 g/cm³; (19)Flash Point: 90.2 °C; (20)Enthalpy of Vaporization: 44.33 kJ/mol; (21)Boiling Point: 225.6 °C at 760 mmHg; (22)Vapour Pressure: 0.129 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1nc(SC)ncc1
(2) InChI: InChI=1/C6H5F3N2S/c1-12-5-10-3-2-4(11-5)6(7,8)9/h2-3H,1H3
(3) InChIKey: RPTPMLRDQUSBRC-UHFFFAOYAW

Product Name

4-trifluoromethyl-2-methylthio-pyrimidine

Pyrimidine,2-(methylthio)-4-(trifluoromethyl)- Specification

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