6-phenyl-4-sulfanylidene-1H-1,3,5-triazin-2-one

Base Information

• Chemical Name: 6-phenyl-4-sulfanylidene-1H-1,3,5-triazin-2-one
• CAS No.: 32622-40-5
• Molecular Formula: C9H7N3OS
• Molecular Weight: 205.24
• DSSTox Substance ID: DTXSID60384772
• Nikkaji Number: J2.793.811F
• Wikidata: Q82177120
• ChEMBL ID: CHEMBL1836537

Synonyms:32622-40-5;CHEMBL1836537;6-phenyl-4-sulfanylidene-1H-1,3,5-triazin-2-one;AC1MDXVQ;F2184-0190;SCHEMBL23076178;DTXSID60384772;HMS1665I07;BDBM50104322;AKOS024627968;CCG-250346;4-phenyl-6-thioxo-5,6-dihydro-1,3,5-triazin-2(1H)-one;4-Thioxo-6-phenyl-3,4-dihydro-1,3,5-triazine-2(1H)-one;6-phenyl-4-sulfanylidene-1,2,3,4-tetrahydro-1,3,5-triazin-2-one

Chemical Property of 6-phenyl-4-sulfanylidene-1H-1,3,5-triazin-2-one

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 205.03098303
• Heavy Atom Count: 14
• Complexity: 294

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)C2=NC(=S)NC(=O)N2

Technology Process of 6-phenyl-4-sulfanylidene-1H-1,3,5-triazin-2-one

There total 4 articles about 6-phenyl-4-sulfanylidene-1H-1,3,5-triazin-2-one 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: 86.0%

benzamidine monohydrochloride (1670-14-0) + Ethoxycarbonyl isothiocyanate (16182-04-0) → 6-phenyl-4-thioxo-3,4-dihydro-1,3,5-triazin-2(1H)-one (32622-40-5)

Guidance literature:

With sodium hydroxide; In water; toluene; at 25 ℃; for 1.5h;

DOI:10.3987/COM-09-11839

Reference yield: 75.2%

N-(carbamoylcarbamothioyl)benzamide (34277-78-6) → 6-phenyl-4-thioxo-3,4-dihydro-1,3,5-triazin-2(1H)-one (32622-40-5)

Guidance literature:

With sodium hydroxide;

DOI:10.1002/hc.10189

Reference yield:

→ 4-phenyl-6-thioxo-5,6-dihydro-1H-[1,3,5]triazin-2-one (32622-40-5)

Guidance literature:

1-Benzoyl-2-thiobiuret (I) in W.,1.)50percentige wssr. NaOH, 2.) Eg.;

DOI:10.1021/jo01318a033

upstream raw materials:

N-(carbamoylcarbamothioyl)benzamide

benzamidine monohydrochloride

Ethoxycarbonyl isothiocyanate

Downstream raw materials:

6-phenyl-4-(benzylthio)-1,3,5-triazin-2(3H)-one

6-phenyl-4-(2-methoxybenzylthio)-1,3,5-triazin-2(3H)-one

6-phenyl-4-(4-cyanobenzylthio)-1,3,5-triazin-2(3H)-one

6-phenyl-1,3,5-triazine-2,4(1H,3H)-dione

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