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4151-69-3

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Basic Information
CAS No.: 4151-69-3
Name: tert-butyl ethyl disulfide
Molecular Structure:
Molecular Structure of 4151-69-3 (tert-butyl ethyl disulfide)
Formula: C6H14S2
Molecular Weight: 150.309
Synonyms: Disulfide,tert-butyl ethyl (6CI,7CI,8CI);2,2-Dimethyl-3,4-dithiahexane;2-Methyl-2-propyl ethyl disulfide;Ethyl tert-butyl disulfide;tert-Butyl ethyldisulfide;
Density: 0.966 g/cm3
Boiling Point: 178.2 °C at 760 mmHg
Flash Point: 48.2 °C
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  • Disulfide,1,1-dimethylethyl ethyl (9CI)

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    Disulfide,1,1-dimethylethyl ethyl (9CI)

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    tert-butyl ethyl disulfide

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Specification

The Disulfide,1,1-dimethylethyl ethyl (9CI), with the CAS registry number 4151-69-3, is also known as tert-Butyl ethyl disulfide. This chemical's molecular formula is C6H14S2 and molecular weight is 150.3054. What's more, its IUPAC name is called 2-(Ethyldisulfanyl)-2-methylpropane.

Physical properties about Disulfide,1,1-dimethylethyl ethyl (9CI) are: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/LogD (pH 7.4): 3.53; (5)ACD/BCF (pH 5.5): 283.46; (6)ACD/BCF (pH 7.4): 283.46; (7)ACD/KOC (pH 5.5): 1981.99; (8)ACD/KOC (pH 7.4): 1981.99; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 50.6 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 45.8 cm3; (15)Molar Volume: 155.5 cm3; (16)Surface Tension: 31 dyne/cm; (17)Density: 0.966 g/cm3; (18)Flash Point: 48.2 °C; (19)Enthalpy of Vaporization: 39.74 kJ/mol; (20)Boiling Point: 178.2 °C at 760 mmHg; (21)Vapour Pressure: 1.35 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S(SC(C)(C)C)CC
(2) InChI: InChI=1/C6H14S2/c1-5-7-8-6(2,3)4/h5H2,1-4H3
(3) InChIKey: CLMXSBZIYJITQU-UHFFFAOYAV