The Ethane,1-bromo-2-(ethylthio)-, with CAS registry number 35420-95-2, has the systematic name of 1-bromo-2-(ethylsulfanyl)ethane. Besides this, it is also called 2-Bromoethyl ethyl sulfide. And the chemical formula of this chemical is C4H9BrS.
Physical properties of Ethane,1-bromo-2-(ethylthio)-: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 25.3 Å2; (7)Index of Refraction: 1.508; (8)Molar Refractivity: 36.3 cm3; (9)Molar Volume: 121.7 cm3; (10)Polarizability: 14.39×10-24cm3; (11)Surface Tension: 34 dyne/cm; (12)Density: 1.389 g/cm3; (13)Flash Point: 62 °C; (14)Enthalpy of Vaporization: 39.81 kJ/mol; (15)Boiling Point: 178.9 °C at 760 mmHg; (16)Vapour Pressure: 1.31 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCCSCC
(2)InChI: InChI=1/C4H9BrS/c1-2-6-4-3-5/h2-4H2,1H3
(3)InChIKey: WNKBNVXUYLXITH-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C4H9BrS/c1-2-6-4-3-5/h2-4H2,1H3
(5)Std. InChIKey: WNKBNVXUYLXITH-UHFFFAOYSA-N
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