Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | Xn | |
Synonyms |
4-Methyl-2-(methylthio)pyridine;2-(Methylthio)-4-picoline; |
Article Data | 2 |
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%.
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