2-(5-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-phenyl-ethanone

Base Information

• Chemical Name: 2-(5-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-phenyl-ethanone
• CAS No.: 5906-74-1
• Molecular Formula: C11H11N3OS
• Molecular Weight: 172.222
• DSSTox Substance ID: DTXSID20349620
• Wikidata: Q27203687
• ChEMBL ID: CHEMBL1407981

Synonyms:2-(5-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-phenyl-ethanone;5906-74-1;2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone;2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone;CBMicro_036471;Cambridge id 5906741;MLS000029113;SCHEMBL6408206;CHEMBL1407981;DTXSID20349620;CHEBI:117063;HMS2410E17;STK216084;AKOS000713427;SMR000010312;BIM-0036386.P001;SR-01000514129;SR-01000514129-1;Q27203687;Z57642135;2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-phenylethanone

Chemical Property of 2-(5-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-phenyl-ethanone

Chemical Property:

• Vapor Pressure: 7.96E-09mmHg at 25°C
• Boiling Point: 465°Cat760mmHg
• Flash Point: 235°C
• Density: 1.32g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 233.06228316
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=NN1)SCC(=O)C2=CC=CC=C2

Technology Process of 2-(5-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-phenyl-ethanone

There total 1 articles about 2-(5-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-phenyl-ethanone 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: 98.0%

chlorodimethyl-3,3,3-trifluoropropylsilane (1481-41-0) → (3,3,3-trifluoropropyl)dimethylsilanol (5906-74-1)

Guidance literature:

With water; ammonium carbonate; sodium chloride; In diethyl ether;

DOI:10.1016/0022-328X(94)87098-5

Reference yield:

n-butyllithium hexane + dimethylmonochlorosilane (1066-35-9) + Hexamethylcyclotrisiloxane (541-05-9) + (3,3,3-trifluoropropyl)dimethylsilanol (5906-74-1) → 2,2-Dimethyl-1-oxa-2-silacyclohexan (5833-47-6)

Guidance literature:

upstream raw materials:

chlorodimethyl-3,3,3-trifluoropropylsilane

Downstream raw materials:

2,2-Dimethyl-1-oxa-2-silacyclohexan

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