Methyl N,N'-bis(2-methylphenyl)carbamimidothioate

Base Information

• Chemical Name: Methyl N,N'-bis(2-methylphenyl)carbamimidothioate
• CAS No.: 65252-02-0
• Molecular Formula: C16H18N2S
• Molecular Weight: 270.398
• DSSTox Substance ID: DTXSID40494388
• Mol file: 65252-02-0.mol

Synonyms:Methyl N,N'-bis(2-methylphenyl)carbamimidothioate;65252-02-0;SCHEMBL10527873;DTXSID40494388

Chemical Property of Methyl N,N'-bis(2-methylphenyl)carbamimidothioate

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 270.11906976
• Heavy Atom Count: 19
• Complexity: 303

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)SC

Technology Process of Methyl N,N'-bis(2-methylphenyl)carbamimidothioate

There total 1 articles about Methyl N,N'-bis(2-methylphenyl)carbamimidothioate 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:

N,N-di-o-tolylthiourea (22695-18-7) + methyl iodide (74-88-4) → S-methyl-N,N'-di-o-tolyl-isothiourea (65252-02-0)

Guidance literature:

man zerlegt das entstandene jodwasserstoffsaure Salz mit Na₂CO₃;

Reference yield:

S-methyl-N,N'-di-o-tolyl-isothiourea (65252-02-0) → methylthiol (74-93-1) + N,N'-bis(o-methylphenyl)carbodiimide (1215-57-2)

Guidance literature:

Reference yield:

S-methyl-N,N'-di-o-tolyl-isothiourea (65252-02-0) → 3-(2-methylphenyl)quinazoline-2,4(1H,3H)-dione (2603-56-7)

Guidance literature:

Multi-step reaction with 2 steps

2: aqueous HCl

With hydrogenchloride;

DOI:10.1021/ja01339a045

upstream raw materials:

N,N-di-o-tolylthiourea

methyl iodide

Downstream raw materials:

N-(2-methylphenyl)-methyl dithiocarbamic acid

methylthiol

N,N'-bis(o-methylphenyl)carbodiimide

2-(o-tolyl)imino-3-(o-tolyl)-thiazolidin-4-one