Trifluoromethanesulfenamide

Base Information

• Chemical Name: Trifluoromethanesulfenamide
• CAS No.: 1512-33-0
• Molecular Formula: CH2F3NS
• Molecular Weight: 117.095
• DSSTox Substance ID: DTXSID101298906
• Nikkaji Number: J1.668.707C
• Mol file: 1512-33-0.mol

Synonyms:1,1,1-trifluoromethanesulfenamide;Trifluoromethanesulfenamide;SCHEMBL4553766;FPFPUKNGEDUVLA-UHFFFAOYSA-N;DTXSID101298906;1,1,1-trifluoromethane-sulfenamide;1512-33-0

Chemical Property of Trifluoromethanesulfenamide

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 116.98600473
• Heavy Atom Count: 6
• Complexity: 40.5

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(F)(F)(F)SN

Technology Process of Trifluoromethanesulfenamide

There total 1 articles about Trifluoromethanesulfenamide 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:

bis(trifluoromethylmercapto)uretidine-2,4-dion (3161-27-1) → BIURET (108-19-0,1866-97-3) + 1,1,1-trifluoromethanesulfenylamine (1512-33-0)

Guidance literature:

With ammonia;

Reference yield: 49.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,1,1-trifluoromethanesulfenylamine (1512-33-0) → 5,6-Dihydro-5-(trifluormethylthio)-4H-1,3,5-dioxazin (81267-94-9) + Hexahydro-1,3,5-tris(trifluormethylthio)-1,3,5-triazin (81267-90-5) + Hexahydro-3,5,7-tris(trifluormethylthio)-2H-1,3,5,7-oxatriazocin (81267-95-0) + Octahydro-1,3,5,7-tetrakis(trifluormethylthio)-1,3,5,7-tetrazocin (81267-91-6)

Guidance literature:

With sulfuric acid; In pentane; at -40 ℃; for 4h; Further byproducts given;

Reference yield: 49.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,1,1-trifluoromethanesulfenylamine (1512-33-0) → Hexahydro-1,3,5-tris(trifluormethylthio)-1,3,5-triazin (81267-90-5) + Hexahydro-3,5,7-tris(trifluormethylthio)-2H-1,3,5,7-oxatriazocin (81267-95-0) + Octahydro-1,3,5,7-tetrakis(trifluormethylthio)-1,3,5,7-tetrazocin (81267-91-6) + Decahydro-1,3,5,7,9-pentakis(trifluormethylthio)-1,3,5,7,9-pentazecin (81267-92-7)

Guidance literature:

With sulfuric acid; In pentane; at -40 ℃; for 4h; Further byproducts given;

upstream raw materials:

bis(trifluoromethylmercapto)uretidine-2,4-dion

Downstream raw materials:

5,6-Dihydro-5-(trifluormethylthio)-4H-1,3,5-dioxazin

Hexahydro-1,3,5-tris(trifluormethylthio)-1,3,5-triazin

Hexahydro-3,5,7-tris(trifluormethylthio)-2H-1,3,5,7-oxatriazocin

Octahydro-1,3,5,7-tetrakis(trifluormethylthio)-1,3,5,7-tetrazocin

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