N-Butyl-N'-[methyl(4-methylphenyl)oxido-lambda4-sulfanylidene]urea

Base Information

• Chemical Name: N-Butyl-N'-[methyl(4-methylphenyl)oxido-lambda4-sulfanylidene]urea
• CAS No.: 13372-58-2
• Molecular Formula: C₁₃H₂₀N₂O₂S
• Molecular Weight: 268.38
• DSSTox Substance ID: DTXSID701180505
• Mol file: 13372-58-2.mol

Synonyms:DTXSID701180505;N-Butyl-N'-[methyl(4-methylphenyl)oxido-lambda4-sulfanylidene]urea;13372-58-2

Chemical Property of N-Butyl-N'-[methyl(4-methylphenyl)oxido-lambda4-sulfanylidene]urea

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 268.12454906
• Heavy Atom Count: 18
• Complexity: 379

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCNC(=O)N=S(=O)(C)C1=CC=C(C=C1)C

Technology Process of N-Butyl-N'-[methyl(4-methylphenyl)oxido-lambda4-sulfanylidene]urea

There total 2 articles about N-Butyl-N'-[methyl(4-methylphenyl)oxido-lambda4-sulfanylidene]urea 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:

S-methyl-S-(p-tolyl)sulfoximine (20414-85-1,22132-97-4,52720-03-3,121123-21-5) + n-butyl isocyanide (111-36-4) → N-(N'-butyl-carbamoyl)-methyl-(4-tolyl)-sulfoxim (13372-58-2)

Guidance literature:

In 1,2-dimethoxyethane; Heating;

DOI:10.1021/jo01348a529

Reference yield:

Methyl p-tolyl sulfoxide (934-72-5) + n-butylcarbamoyl-azide (50405-14-6) → N-(N'-butyl-carbamoyl)-methyl-(4-tolyl)-sulfoxim (13372-58-2)

Guidance literature:

(heating);

DOI:10.1021/jo01348a529

upstream raw materials:

Methyl p-tolyl sulfoxide

n-butylcarbamoyl-azide

S-methyl-S-(p-tolyl)sulfoximine

n-butyl isocyanide