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35420-95-2

Basic Information
CAS No.: 35420-95-2
Name: 2-BROMOETHYL ETHYL SULFIDE
Article Data: 15
Molecular Structure:
Molecular Structure of 35420-95-2 (2-BROMOETHYL ETHYL SULFIDE)
Formula: C4H9BrS
Molecular Weight: 169.085
Synonyms: Sulfide,2-bromoethyl ethyl (6CI);1-Bromo-2-(ethylthio)ethane;1-Bromo-2-ethylsulfanylethane;2-Bromoethyl ethyl sulfide;2-Ethylthioethylbromide;NSC 57104;b-Bromoethyl ethyl sulfide;w-Bromodiethyl sulfide;
Density: 1.389g/cm3
Boiling Point: 178.9 °C at 760 mmHg
Flash Point: 62 °C
PSA: 25.30000
LogP: 2.13440
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Specification

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