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51933-75-6

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Basic Information
CAS No.: 51933-75-6
Name: 5-Methyl-2-(methylthio)pyridine
Article Data: 5
Molecular Structure:
Molecular Structure of 51933-75-6 (5-Methyl-2-(methylthio)pyridine)
Formula: C7H9NS
Molecular Weight: 139.22
Synonyms: 5-Methyl-2-(methylthio)-pyridine;5-Methyl-2-(methylsulfanyl)pyridine;
Density: 1.07 g/cm3
Boiling Point: 228.4 °C at 760 mmHg
Flash Point: 91.9 °C
Hazard Symbols: Xn
Risk Codes: 22-36
Safety: 26
PSA: 38.19000
LogP: 2.11190
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Specification

The Pyridine, 5-methyl-2-(methylthio)-, with the CAS registry number 51933-75-6, is also known as 5-Methyl-2-(methylthio)-pyridine. This chemical's molecular formula is C7H9NS and molecular weight is 139.22. What's more, its systematic name is 5-methyl-2-(methylsulfanyl)pyridine. 

Physical properties of Pyridine, 5-methyl-2-(methylthio)- are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 38.19 Å2; (7)Index of Refraction: 1.56; (8)Molar Refractivity: 41.81 cm3; (9)Molar Volume: 129.2 cm3; (10)Polarizability: 16.57×10-24cm3; (11)Surface Tension: 42.4 dyne/cm; (12)Density: 1.07 g/cm3; (13)Flash Point: 91.9 °C; (14)Enthalpy of Vaporization: 44.61 kJ/mol; (15)Boiling Point: 228.4 °C at 760 mmHg; (16)Vapour Pressure: 0.111 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-methyl-pyridine and dimethyldisulfane at the temperature of 0 °C. This reaction will need reagents BuLi, Me2N(CH2)2OLi and solvents hexane, tetrahydrofuran with the reaction time of 1 hour. The yield is about 90%.

Pyridine, 5-methyl-2-(methylthio)- can be prepared by 3-methyl-pyridine and dimethyldisulfane at the temperature of 0 °C

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1ncc(cc1)C)C
(2)InChI: InChI=1S/C7H9NS/c1-6-3-4-7(9-2)8-5-6/h3-5H,1-2H3
(3)InChIKey: HZBGBWMWWMSKPT-UHFFFAOYSA-N