N,N'-Carbonothioyldibenzamide

Base Information

• Chemical Name: N,N'-Carbonothioyldibenzamide
• CAS No.: 74346-73-9
• Molecular Formula: C15H12N2O2S
• Molecular Weight: 284.338
• DSSTox Substance ID: DTXSID70505254
• Wikidata: Q82360231
• Mol file: 74346-73-9.mol

Synonyms:N,N'-Carbonothioyldibenzamide;74346-73-9;1,3-Dibenzoyl-thiourea;SCHEMBL10423615;DTXSID70505254

Chemical Property of N,N'-Carbonothioyldibenzamide

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 284.06194880
• Heavy Atom Count: 20
• Complexity: 338

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NC(=O)C2=CC=CC=C2

Technology Process of N,N'-Carbonothioyldibenzamide

There total 3 articles about N,N'-Carbonothioyldibenzamide 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: 93.0%

benzoyl chloride (98-88-4) + thiourea (17356-08-0) → N-[(phenylcarbonyl)carbamothioyl]benzamide (74346-73-9)

Guidance literature:

In acetone; at -5 ℃; for 0.75h;

DOI:10.21577/0103-5053.20180129

Reference yield: 70.0%

N,N'-diacetylthiourea (4984-27-4) + benzoyl chloride (98-88-4) → N-[(phenylcarbonyl)carbamothioyl]benzamide (74346-73-9)

Guidance literature:

In acetone;

Reference yield: 20.0%

2,5-Diphenyl-1,6-dioxa-6aλ4-thia-3,4-diazapentalene (62302-08-3) → N-[(phenylcarbonyl)carbamothioyl]benzamide (74346-73-9) + 2,6-Diphenyl-4λ4-[1,2,4]dithiazolo[1,5-b][1,2,4]oxathiazole (62337-60-4) + 2,5-Diphenyl-3,4-diaza-1,6,6aλ4-trithiapentalen (17280-68-1)

Guidance literature:

With tetraphosphorus decasulfide; In 1,4-dioxane; at 90 ℃; for 1h;

DOI:10.1021/jo01307a035

upstream raw materials:

N,N'-diacetylthiourea

benzoyl chloride

2,5-Diphenyl-1,6-dioxa-6aλ⁴-thia-3,4-diazapentalene

thiourea

Downstream raw materials:

2,5-Diphenyl-1,6-dioxa-6aλ⁴-thia-3,4-diazapentalene

N-benzoylthiourea

thiourea

2,5-Diphenyl-3,4-diaza-1,6,6aλ⁴-trithiapentalen

Refernces

• 1、 Kavalek, Jaromir,Jirman, Josef,Sterba, Vojeslav. "REACTIONS OF 1,3-DIACYLTHIOUREAS WITH METHOXIDE ION AND WITH AMINES". . p. 120 - 131. Retrieved 2007/10/02.