CAS No.18368-65-5,2-Mercapto-4-methylpyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18368-65-5
Name:	2-Mercapto-4-methylpyridine
Article Data:	12

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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Specification

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.

The 2(1H)-Pyridinethione,4-methyl- could be obtained by the reactant of 4-methyl-1H-pyridin-2-one

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.

The 2(1H)-Pyridinethione,4-methyl- could react with diethyl-trimethylsilanyl-amine to obtain the 4-methyl-2-trimethylsilanylsulfanyl-pyridine

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