Molecular Structure of 4-Trifluoromethylthioanisole (CAS NO.329-14-6):
Empirical Formula: C8H7F3S
Molecular Weight: 192.2014
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 25.3 Å2
Index of Refraction: 1.493
Molar Refractivity: 44.382 cm3
Molar Volume: 152.653 cm3
Surface Tension: 30.264 dyne/cm
Density: 1.259 g/cm3
Flash Point: 73.182 °C
Enthalpy of Vaporization: 41.586 kJ/mol
Boiling Point: 197.394 °C at 760 mmHg
Vapour Pressure: 0.534 mmHg at 25°C
SMILES: CSc1ccc(cc1)C(F)(F)F
InChI: InChI=1/C8H7F3S/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3
4-Trifluoromethylthioanisole , with CAS number of 329-14-6, can be called 1-(Methylsulfanyl)-4-(trifluoromethyl)benzene ; benzene, 1-(methylthio)-4-(trifluoromethyl)- ; Methyl 4-(trifluoromethyl)phenyl sulfide .
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