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| CAS No.: | 162965-54-0 |
|---|---|
| Name: | 2-[(2,2,2-TRIFLUOROETHYL)THIO]-PYRIDINE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C7H6F3NS |
| Molecular Weight: | 193.193 |
| Synonyms: | 2-[(2,2,2-Trifluoroethyl)sulfanyl]pyridine; |
| Density: | 1.32 g/cm3 |
| Boiling Point: | 210.6 °C at 760 mmHg |
| Flash Point: | 81.2 °C |
| PSA: | 38.19000 |
| LogP: | 2.73600 |
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Specification
The Pyridine, 2-[(2, 2, 2-trifluoroethyl)thio]- has CAS registry number 162965-54-0. This chemical's molecular formula is C7H6F3NS and molecular weight is 193.19. What's more, its systematic name is 2-[(2, 2, 2-Trifluoroethyl)sulfanyl]pyridine.
Physical properties about Pyridine, 2-[(2, 2, 2-trifluoroethyl)thio]- are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 37.63; (6)ACD/BCF (pH 7.4): 37.64; (7)ACD/KOC (pH 5.5): 467; (8)ACD/KOC (pH 7.4): 467.19; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.19 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 42.18 cm3; (15)Molar Volume: 145.9 cm3; (16)Polarizability: 16.72×10-24 cm3; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 81.2 °C; (20)Enthalpy of Vaporization: 42.87 kJ/mol; (21)Boiling Point: 210.6 °C at 760 mmHg; (22)Vapour Pressure: 0.276 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)CSc1ccccn1
(2) InChI: InChI=1/C7H6F3NS/c8-7(9,10)5-12-6-3-1-2-4-11-6/h1-4H,5H2
(3) InChIKey: FCLUQYUDEKXIKH-UHFFFAOYAY