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| CAS No.: | 19006-77-0 |
|---|---|
| Name: | 2-(Methylthio)-4-methylpyridine |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H9NS |
| Molecular Weight: | 139.221 |
| Synonyms: | 4-Methyl-2-(methylthio)pyridine;2-(Methylthio)-4-picoline; |
| Density: | 1.07 g/cm3 |
| Boiling Point: | 229.9 °C at 760 mmHg |
| Flash Point: | 92.8 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36 |
| Safety: | 26 |
| PSA: | 38.19000 |
| LogP: | 2.11190 |
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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%.
-4-methylpyridine(2).png)
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