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13286-92-5

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Basic Information
CAS No.: 13286-92-5
Name: TERT-AMYL METHYL SULPHIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 13286-92-5 (TERT-AMYL METHYL SULPHIDE)
Formula: C6H14S
Molecular Weight: 118.243
Synonyms: Sulfide,methyl tert-pentyl (7CI,8CI);Methyl tert-pentyl sulfide;
Density: 0.835 g/cm3
Melting Point: -96.69°C (estimate)
Boiling Point: 121.4 °C at 760 mmHg
Flash Point: 8.5 °C
Hazard Symbols: R10:Flammable.;
Risk Codes: R10
PSA: 25.30000
LogP: 2.39550
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  • Butane,2-methyl-2-(methylthio)-

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Specification

The Butane,2-methyl-2-(methylthio)-, with the CAS registry number 13286-92-5, is also known as Sulfide, methyl tert-pentyl. This chemical's molecular formula is C6H14S and molecular weight is 118.2404. What's more, its IUPAC name is 2-Methyl-2-methylsulfanylbutane.

Physical properties about Butane,2-methyl-2-(methylthio)- are: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 60.48; (6)ACD/BCF (pH 7.4): 60.48; (7)ACD/KOC (pH 5.5): 656.01; (8)ACD/KOC (pH 7.4): 656.01; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 37.8 cm3; (15)Molar Volume: 141.5 cm3; (16)Polarizability: 14.98×10-24 cm3; (17)Surface Tension: 25 dyne/cm; (18)Density: 0.835 g/cm3; (19)Flash Point: 8.5 °C; (20)Enthalpy of Vaporization: 34.46 kJ/mol; (21)Boiling Point: 121.4 °C at 760 mmHg; (22)Vapour Pressure: 17.5 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S(C(C)(C)CC)C
(2) InChI: InChI=1/C6H14S/c1-5-6(2,3)7-4/h5H2,1-4H3
(3) InChIKey: SJOHDSPLOVBXOF-UHFFFAOYAS