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CAS No.: | 18368-65-5 |
---|---|
Name: | 2-Mercapto-4-methylpyridine |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C6H7NS |
Molecular Weight: | 125.194 |
Synonyms: | 2-Pyridinethiol,4-methyl- (7CI);2-Mercapto-4-methylpyridine;4-Methyl-2(1H)-pyridinethione;4-Methyl-2-pyridinethiol; |
Density: | 1.15 g/cm3 |
Melting Point: | 177-178 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 195.1 °C at 760 mmHg |
Flash Point: | 71.8 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 51.69000 |
LogP: | 1.67870 |
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This chemical is called 2(1H)-Pyridinethione,4-methyl-, and its systematic name is 4-methylpyridine-2(1H)-thione. With the molecular formula of C6H7NS, its molecular weight is 125.19148. The CAS registry number of this chemical is 18368-65-5. Additionally, its product categories are Thiol; Pyridine.
Other characteristics of the 2(1H)-Pyridinethione,4-methyl can be summarised as followings: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.87; (6)ACD/BCF (pH 7.4): 2.86; (7)ACD/KOC (pH 5.5): 74.06; (8)ACD/KOC (pH 7.4): 73.76; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.33 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 38.13 cm3; (15)Molar Volume: 108.5 cm3; (16)Polarizability: 15.11.×10-24cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 71.8 °C; (20)Enthalpy of Vaporization: 43.13 kJ/mol; (21)Boiling Point: 195.1 °C at 760 mmHg; (22)Vapour Pressure: 0.426 mmHg at 25°C.
Production method of this chemical: The 2(1H)-Pyridinethione,4-methyl- could be obtained by the reactant of 4-methyl-1H-pyridin-2-one. This reaction needs the reagent of Lawesson's reagent, and the solvent of toluene. The yield is 80 %. In addition, this reaction should be taken for 4 hours. The other condition is heating.
Uses of this chemical: The 2(1H)-Pyridinethione,4-methyl- could react with diethyl-trimethylsilanyl-amine to obtain the 4-methyl-2-trimethylsilanylsulfanyl-pyridine. This reaction needs the solvent of toluene. The yield is 82 %. In addition, this reaction should be taken for 5 hours. The other condition is heating.
You can still convert the following datas into molecular structure:
1.SMILES: S=C1/C=C(\C=C/N1)C
2.InChI: InChI=1/C6H7NS/c1-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)
3.InChIKey: KGYJCSZMSPBJFS-UHFFFAOYAJ