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7145-61-1

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Basic Information
CAS No.: 7145-61-1
Name: 3-Chloro-6-(methylthio)pyridazine
Article Data: 14
Molecular Structure:
Molecular Structure of 7145-61-1 (3-Chloro-6-(methylthio)pyridazine)
Formula: C5H5ClN2S
Molecular Weight: 160.62
Synonyms: Pyridazine, 3-chloro-6- (methylthio)-;3-Chloro-6-(methylthio)pyridazine;
Density: 1.37 g/cm3
Boiling Point: 323.2 °C at 760 mmHg
Flash Point: 149.3 °C
PSA: 51.08000
LogP: 1.85190
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Specification

The 3-Chloro-6-(methylthio)pyridazine is an organic compound with the formula C5H5ClN2S. The IUPAC name of this chemical is 3-chloro-6-methylsulfanylpyridazine. With the CAS registry number 7145-61-1, it is also named as Pyridazine, 3-chloro-6- (methylthio)-. In addition, the molecular weight is 160.62.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 51.08 ?2; (7)Index of Refraction: 1.594; (8)Molar Refractivity: 39.81 cm3; (9)Molar Volume: 117.2 cm3; (10)Polarizability: 15.78×10-24 cm3; (11)Surface Tension: 58.5 dyne/cm; (12)Density: 1.37 g/cm3; (13)Flash Point: 149.3 °C; (14)Enthalpy of Vaporization: 54.26 kJ/mol; (15)Boiling Point: 323.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000502 mmHg at 25°C; (17)Rotatable Bond Count: 1; (18)Exact Mass: 159.986197; (19)MonoIsotopic Mass: 159.986197; (20)Topological Polar Surface Area: 51.1; (21)Heavy Atom Count: 9; (22)Complexity: 91.

Preparation of 3-Chloro-6-(methylthio)pyridazine: It can be obtained by dimethoxymethyl-dimethyl-amine and 6-chloro-2H-pyridazine-3-thione. This reaction needs reagent toluene by heating. The reaction time is 1 hours. The yield is 33%.

3-Chloro-6-(methylthio)pyridazine can be obtained by dimethoxymethyl-dimethyl-amine and 6-chloro-2H-pyridazine-3-thione

Uses of 3-Chloro-6-(methylthio)pyridazine: It can react with hydrazinecarboxylic acid ethyl ester to get Ethyl 2-(6-Methylthio-3-pyridazine)-hydrazinecarboxylate. This reaction needs solvent 3-methyl-butan-1-ol by heating. The reaction time is 48 hours. The yield is 88%.

3-Chloro-6-(methylthio)pyridazine can react with hydrazinecarboxylic acid ethyl ester to get Ethyl 2-(6-Methylthio-3-pyridazine)-hydrazinecarboxylate

People can use the following data to convert to the molecule structure. 
1. SMILES:Clc1nnc(SC)cc1
2. InChI:InChI=1/C5H5ClN2S/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3
3. InChIKey:CAZDNMWZZXLBSI-UHFFFAOYAB