N-Allyl-N'-(p-methylphenyl)thiourea

Base Information

• Chemical Name: N-Allyl-N'-(p-methylphenyl)thiourea
• CAS No.: 1205-89-6
• Molecular Formula: C11H14 N2 S
• Molecular Weight: 206.312
• NSC Number: 164322
• UNII: M6QY80524Z
• DSSTox Substance ID: DTXSID90152885
• Nikkaji Number: J40.772K

Synonyms:1205-89-6;N-Allyl-N'-(p-methylphenyl)thiourea;Urea, 1-allyl-2-thio-p-tolyl-;Allyl p-tolyl thiourea;N-Allyl-N'-(p-tolyl)thiourea;Urea, 1-allyl-2-thio-3-p-tolyl-;Thiourea, N-(4-methylphenyl)-N'-2-propenyl-;1-allyl-3-(p-tolyl)thiourea;NSC 164322;BRN 3258899;1-(4-methylphenyl)-3-prop-2-enylthiourea;M6QY80524Z;Thiourea, N-(4-Methylphenyl)-N'-2-propen-1-yl-;NSC-164322;0-12-00-00947 (Beilstein Handbook Reference);NSC164322;1-allyl-3-p-tolylthiourea;UNII-M6QY80524Z;N-(p-Tolyl)-N'-allylthiourea;WLN: 1U2MYUS&MR D1;DTXSID90152885;HMS1784H09;STK721926;N-allyl-N'-(4-methylphenyl)thiourea;AKOS001017644;AKOS002663203;LS-158802;1-(4-methylphenyl)-3-prop-2-en-1-ylthiourea;AB00032114-01;1-(4-methylphenyl)-3-(prop-2-en-1-yl)thiourea;SR-01000005073;SR-01000030917;Thiourea, N-(4-methylphenyl)-N'-(2-propenyl)-;SR-01000005073-1;SR-01000030917-1;N-(4-METHYLPHENYL)-N'-2-PROPEN-1-YLTHIOUREA;F0183-0141

Chemical Property of N-Allyl-N'-(p-methylphenyl)thiourea

Chemical Property:

• Vapor Pressure: 0.00118mmHg at 25°C
• Boiling Point: 299.6°C at 760 mmHg
• Flash Point: 135°C
• Density: 1.123g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 206.08776963
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=S)NCC=C

Technology Process of N-Allyl-N'-(p-methylphenyl)thiourea

There total 3 articles about N-Allyl-N'-(p-methylphenyl)thiourea 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: 42.0%

p-toluidine (106-49-0,12221-03-3) + N-allyl isothiocyanate (57-06-7,58391-87-0) → 1-allyl-3-(4-methylphenyl)-thiourea (1205-89-6)

Guidance literature:

In ethanol; at 20 - 60 ℃;

DOI:10.1134/S1070363216030312

Reference yield:

p-toluidine (106-49-0,12221-03-3) + N-allyl isothiocyanate (57-06-7,58391-87-0) → 1-allyl-3-(4-methylphenyl)-thiourea (1205-89-6) + N,N'-Bis(p-tolyl)thiourea (621-01-2)

Guidance literature:

With ethanol; beim Behandeln des Produktes mit warmem verd. Alkohol bleibt N_.N'-Di-p-tolyl-thioharnstoff umgeloest;

Reference yield:

1-amino-2-propene (107-11-9,30551-89-4) + 1-isothiocyanato-4-methylbenzene (622-59-3) → 1-allyl-3-(4-methylphenyl)-thiourea (1205-89-6)

Guidance literature:

In neat (no solvent); at 0 ℃;

DOI:10.1016/j.tet.2019.130817

upstream raw materials:

p-toluidine

N-allyl isothiocyanate

1-amino-2-propene

1-isothiocyanato-4-methylbenzene

Downstream raw materials:

C₁₇H₁₈N₂SSe

C₁₃H₁₄N₂OS

5-methyl-2-(4-methylphenylamino)-2-thiazoline

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