N-(Phenylcarbamothioyl)benzenecarbothioamide

Base Information

• Chemical Name: N-(Phenylcarbamothioyl)benzenecarbothioamide
• CAS No.: 25310-08-1
• Molecular Formula: C14H12N2S2
• Molecular Weight: 272.38800
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80504773
• Nikkaji Number: J228.147C
• Wikidata: Q82359515
• Mol file: 25310-08-1.mol

Synonyms:25310-08-1;N-(Phenylcarbamothioyl)benzenecarbothioamide;SCHEMBL20174110;DTXSID80504773;1-phenyl-3-thiobenzoylthiocarbamid

Chemical Property of N-(Phenylcarbamothioyl)benzenecarbothioamide

Chemical Property:

• PSA: 102.32000
• LogP: 3.98050
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 272.04419074
• Heavy Atom Count: 18
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=S)NC(=S)NC2=CC=CC=C2

Technology Process of N-(Phenylcarbamothioyl)benzenecarbothioamide

There total 2 articles about N-(Phenylcarbamothioyl)benzenecarbothioamide 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: 55.0%

1-benzoyl-3-phenylthiourea (4921-82-8) → 1-Phenyl-3-thiobenzoyl-thioharnstoff (25310-08-1)

Guidance literature:

With tetraphosphorus decasulfide; In pyridine; for 0.166667h; Heating;

Reference yield:

→ 1-Phenyl-3-thiobenzoyl-thioharnstoff (25310-08-1)

Guidance literature:

Thiobenzamid IIa, H2S;

Reference yield: 85.0%

1-Phenyl-3-thiobenzoyl-thioharnstoff (25310-08-1) → phenyl-(5-phenyl-[1,2,4]dithiazol-3-ylidene)-amine (25310-07-0)

Guidance literature:

With chlorine; 1.) dichloromethane, -5 to 0 deg C; 2.) benzene, reflux, 30 min;

upstream raw materials:

1-benzoyl-3-phenylthiourea

Downstream raw materials:

phenyl-(5-phenyl-[1,2,4]dithiazol-3-ylidene)-amine

1,4-diphenyl-2,4-dichloro-1,3-diaza-1,3-butadiene

Cu⁽¹⁺⁾*C₆H₅NHCSNCSC₆H₅^(1-) = Cu(C₆H₅NCSNCSC₆H₅)H

Ni(C₆H₅CSNCSNHC₆H₅)2

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