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2-(Methylthio)-4-methylpyridine

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Name

2-(Methylthio)-4-methylpyridine

EINECS N/A
CAS No. 19006-77-0 Density 1.07 g/cm3
PSA 38.19000 LogP 2.11190
Solubility N/A Melting Point N/A
Formula C7H9NS

Boiling Point 229.9 °C at 760 mmHg
Molecular Weight 139.221 Flash Point 92.8 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 22-36
Molecular Structure Molecular Structure of 19006-77-0 (2-(Methylthio)-4-methylpyridine) Hazard Symbols Xn
Synonyms

4-Methyl-2-(methylthio)pyridine;2-(Methylthio)-4-picoline;

Article Data 2

2-(Methylthio)-4-methylpyridine Specification

The 2-(Methylthio)-4-methylpyridine, with the CAS registry number 19006-77-0, is also known as 2-(Methylthio)-4-picoline and 4-Methyl-2-(methylthio)pyridine. This chemical's molecular formula is C7H9NS and molecular weight is 139.2181. Its systematic name is called 4-methyl-2-(methylsulfanyl)pyridin.

Physical properties of this chemical are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 24.83; (6)ACD/BCF (pH 7.4): 26.34; (7)ACD/KOC (pH 5.5): 341.01; (8)ACD/KOC (pH 7.4): 361.7; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.56; (13)Molar Refractivity: 41.81 cm3; (14)Molar Volume: 129.2 cm3; (15)Surface Tension: 42.4 dyne/cm; (16)Density: 1.07 g/cm3; (17)Flash Point: 92.8 °C; (18)Enthalpy of Vaporization: 44.75 kJ/mol; (19)Boiling Point: 229.9 °C at 760 mmHg; (20)Vapour Pressure: 0.103 mmHg at 25°C.

Preparation of 2-(Methylthio)-4-methylpyridine: this chemical can be prepared by 4-methyl-pyridine, butyllithium and dimethyldisulfane. This reaction will need reagent 2-(Dimethylamino)ethanol and solvents hexane, tetrahydrofuran. The reaction time is 1 hour. The yield is about 69%.

2-(Methylthio)-4-methylpyridine can be prepared by 4-methyl-pyridine, butyllithium and dimethyldisulfane

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1nccc(c1)C)C
(2)InChI: InChI=1/C7H9NS/c1-6-3-4-8-7(5-6)9-2/h3-5H,1-2H3
(3)InChIKey: DLQOCRQNPSGPSR-UHFFFAOYAI

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