1-Pentanethiol,4,4,5,5,5-pentafluoro- (148757-88-4)

The 4,4,5,5,5-Pentafluoro-1-pentanethiol, with the CAS registry number 148757-88-4, is also known as 1-Pentanethiol, 4,4,5,5,5-pentafluoro-. This chemical's molecular formula is C₅H₇F₅S and formula weight is 194.16. What's more, its systematic name is called 4,4,5,5,5-Pentafluoropentane-1-thiol.

Physical properties about this chemical are: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 33; (6)ACD/BCF (pH 7.4): 33; (7)ACD/KOC (pH 5.5): 426; (8)ACD/KOC (pH 7.4): 426; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.8 Å²; (13)Index of Refraction: 1.363; (14)Molar Refractivity: 33.86 cm³; (15)Molar Volume: 152.452 cm³; (16)Surface Tension: 19.572 dyne/cm; (17)Density: 1.274 g/cm³; (18)Flash Point: 30.306 °C; (19)Enthalpy of Vaporization: 33.712 kJ/mol; (20)Boiling Point: 113.162 °C at 760 mmHg; (21)Vapour Pressure: 24.887 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(F)(F)CCCS
(2)InChI: InChI=1/C5H7F5S/c6-4(7,2-1-3-11)5(8,9)10/h11H,1-3H2
(3)InChIKey: OZRFWLLFSGXBOH-UHFFFAOYAE