3-Methyl-2(1H)-pyridinethione

Base Information

• Chemical Name: 3-Methyl-2(1H)-pyridinethione
• CAS No.: 18368-66-6
• Molecular Formula: C6H7NS
• Molecular Weight: 125.194
• Hs Code.: 2933399090
• European Community (EC) Number: 806-134-3
• DSSTox Substance ID: DTXSID20418688
• Nikkaji Number: J100.542A
• Mol file: 18368-66-6.mol

Synonyms:18368-66-6;3-Methylpyridine-2(1H)-thione;3-Methyl-2(1H)-pyridinethione;3-methyl-1H-pyridine-2-thione;3-methylpyridine-2-thiol;2(1H)-Pyridinethione, 3-methyl-;3-methyl-2-pyridinethiol;3-Methyl-2-pyridthione;methylpyridine-2-thione;2-mercapto-3-methylpyridine;SCHEMBL1037014;OXDOMAKPLZVHCE-UHFFFAOYSA-;DTXSID20418688;3-Methyl-2(1H)-pyridinethione #;MFCD06637434;3-Methyl-2-pyridinethiol, AldrichCPR;AKOS005189589;AKOS011535991;SB53184;3-methyl-1,2-dihydropyridine-2-thione;BS-52274;CS-0448927;FT-0732288;M3363;E78962;EN300-212466;Z968907338;InChI=1/C6H7NS/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)

Chemical Property of 3-Methyl-2(1H)-pyridinethione

Chemical Property:

• Melting Point: 163-165 °C
• Refractive Index: 1.586
• Boiling Point: 191.881 °C at 760 mmHg
• PKA: 9.79±0.40(Predicted)
• Flash Point: 64.172 °C
• PSA: 47.88000
• Density: 1.11 g/cm³
• LogP: 2.05260
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 125.02992040
• Heavy Atom Count: 8
• Complexity: 167

Purity/Quality:

98%Min ^*data from raw suppliers

3-methyl-1,2-dihydropyridine-2-thione ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CNC1=S

Technology Process of 3-Methyl-2(1H)-pyridinethione

There total 11 articles about 3-Methyl-2(1H)-pyridinethione which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

3-methylpyridin-2-ol (1003-56-1,91914-04-4) → 2-thiol-3-methylpyridine (18368-66-6)

Guidance literature:

With diphosphorus pentasulfide; sodium chloride; potassium carbonate; In chloroform; water;

Reference yield: 86.0%

5-methyl-pyridin-2-ol (1003-68-5,91914-06-6) → 2-thiol-3-methylpyridine (18368-66-6) + 2-mercapto-5-methylpyridine (18368-58-6)

Guidance literature:

Reference yield: 80.0%

3-Methyl-1H-pyridin-2-one (1003-56-1) → 3-Methyl-1H-pyridin-2-thion (18368-66-6)

Guidance literature:

With Lawessons reagent; In toluene; for 4h; Heating; conversion of pyridones into thiones; other pyridones;

DOI:10.1002/prac.19923340204

upstream raw materials:

3-Methyl-1H-pyridin-2-one

3-methylpyridin-2-ol

2-bromo-3-picoline

3-methylpyridin-2-ylamine

Downstream raw materials:

3-methylpyridine-2-sulfonic acid

4-amino-2-chlorophenyl 3-methylpyrid-2-yl sulphide

2-chloro-4-nitrophenyl 3-methylpyrid-2-yl sulphide

3-methyl-2-(4-methylphenyl)pyridine