4-Methyl-3-methylsulfinyl-5-(5-nitro-2-furyl)-s-triazole

Base Information

• Chemical Name: 4-Methyl-3-methylsulfinyl-5-(5-nitro-2-furyl)-s-triazole
• CAS No.: 41834-21-3
• Molecular Formula: C8H8N4O4S
• Molecular Weight: 256.2385
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50962008
• Nikkaji Number: J92.711B
• Mol file: 41834-21-3.mol

Synonyms:41834-21-3;BRN 1140263;4-Methyl-3-methylsulfinyl-5-(5-nitro-2-furyl)-s-triazole;s-Triazole, 4-methyl-3-methylsulfinyl-5-(5-nitro-2-furyl)-;4-Methyl-3-(methylsulfinyl)-5-(5-nitrofuran-2-yl)-4H-1,2,4-triazole;4H-1,2,4-Triazole, 4-methyl-3-methylsulfinyl-5-(5-nitro-2-furyl)-;DTXSID50962008;LS-156064;3-(Methanesulfinyl)-4-methyl-5-(5-nitrofuran-2-yl)-4H-1,2,4-triazole;4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(5-nitro-2-furanyl)-

Chemical Property of 4-Methyl-3-methylsulfinyl-5-(5-nitro-2-furyl)-s-triazole

Chemical Property:

• Vapor Pressure: 4.9E-11mmHg at 25°C
• Boiling Point: 523°Cat760mmHg
• PKA: -1.55±0.10(Predicted)
• Flash Point: 270.1°C
• PSA: 125.95000
• Density: 1.78g/cm³
• LogP: 2.10960
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 256.02662592
• Heavy Atom Count: 17
• Complexity: 336

Purity/Quality:

4-METHYL-3-METHYLSULFINYL-5-(5-NITRO-2-FURYL)-S-TRIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=NN=C1S(=O)C)C2=CC=C(O2)[N+](=O)[O-]

Technology Process of 4-Methyl-3-methylsulfinyl-5-(5-nitro-2-furyl)-s-triazole

There total 2 articles about 4-Methyl-3-methylsulfinyl-5-(5-nitro-2-furyl)-s-triazole 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:

5-furan-2-yl-4-methyl-2,4-dihydro-[1,2,4]triazole-3-thione (27106-14-5) → 3-methanesulfinyl-4-methyl-5-(5-nitro-furan-2-yl)-4H-[1,2,4]triazole (41834-21-3)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

2: HNO₃, H₂SO₄

With sulfuric acid; nitric acid; In ethanol;

DOI:10.1021/jm00262a002

Reference yield:

3-furan-2-yl-4-methyl-5-methylsulfanyl-4H-[1,2,4]triazole (41733-61-3) → 3-methanesulfinyl-4-methyl-5-(5-nitro-furan-2-yl)-4H-[1,2,4]triazole (41834-21-3)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1021/jm00262a002

upstream raw materials:

3-furan-2-yl-4-methyl-5-methylsulfanyl-4H-[1,2,4]triazole

5-furan-2-yl-4-methyl-2,4-dihydro-[1,2,4]triazole-3-thione

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