Benzenecarboximidamide, N-(((4-methylphenyl)amino)thioxomethyl)-

Base Information

• Chemical Name: Benzenecarboximidamide, N-(((4-methylphenyl)amino)thioxomethyl)-
• CAS No.: 101091-99-0
• Molecular Formula: C15H15 N3 S
• Molecular Weight: 269.37
• DSSTox Substance ID: DTXSID10143730

Synonyms:BRN 3337123;Benzaldehyde, 4-p-tolyl-3-thiosemicarbazone;Benzenecarboximidamide, N-(((4-methylphenyl)amino)thioxomethyl)-;N-(((4-Methylphenyl)amino)thioxomethyl)benzenecarboximidamide;101091-99-0;4-12-00-01932 (Beilstein Handbook Reference);C15H15N3S;DTXSID10143730;LS-29445

Chemical Property of Benzenecarboximidamide, N-(((4-methylphenyl)amino)thioxomethyl)-

Chemical Property:

• Boiling Point: 426.1°Cat760mmHg
• Flash Point: 211.5°C
• Density: 1.16g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 269.09866866
• Heavy Atom Count: 19
• Complexity: 326

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=S)N=C(C2=CC=CC=C2)N
• Isomeric SMILES: CC1=CC=C(C=C1)NC(=S)/N=C(/C2=CC=CC=C2)\N

Technology Process of Benzenecarboximidamide, N-(((4-methylphenyl)amino)thioxomethyl)-

There total 3 articles about Benzenecarboximidamide, N-(((4-methylphenyl)amino)thioxomethyl)- 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:

benzamidine monohydrochloride (1670-14-0) + 1-isothiocyanato-4-methylbenzene (622-59-3) → N-benzimidoyl-N'-p-tolyl-thiourea (101091-99-0)

Guidance literature:

With triethylamine; In acetonitrile; at 20 ℃; for 3h;

DOI:10.1055/s-0035-1561381

Reference yield:

benzamidin (618-39-3) + 1-isothiocyanato-4-methylbenzene (622-59-3) → N-benzimidoyl-N'-p-tolyl-thiourea (101091-99-0)

Guidance literature:

DOI:10.1039/jr9590002851

Reference yield:

1-isothiocyanato-4-methylbenzene (622-59-3) → N-benzimidoyl-N'-p-tolyl-thiourea (101091-99-0)

Guidance literature:

With potassium carbonate; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/acs.joc.7b00814

upstream raw materials:

benzamidin

1-isothiocyanato-4-methylbenzene

benzamidine monohydrochloride

Downstream raw materials:

3-phenyl-N-(p-tolyl)-1,2,4-thiadiazol-5-amine

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