Thifensulfuron

Base Information

• Chemical Name: Thifensulfuron
• CAS No.: 79277-67-1
• Molecular Formula: C11H11N5O6S2
• Molecular Weight: 373.37
• UNII: R1O5RY2GKC
• DSSTox Substance ID: DTXSID1058185
• Nikkaji Number: J372.961C
• Wikidata: Q27225380
• Mol file: 79277-67-1.mol

Synonyms:Thifensulfuron;79277-67-1;thiameturon;Thifensulfuron [ISO];79227-67-1;3-(N-((4-Methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)sulfamoyl)thiophene-2-carboxylic acid;UNII-R1O5RY2GKC;R1O5RY2GKC;3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid;3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylic acid;Spiro[benzofuran-2(3H),3'-pyrrolidine],1'-(phenylmethyl)-3-(1H-pyrrol-1-yl)-;2-Thiophenecarboxylic acid, 3-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-;2-Thiophenecarboxylic acid, 3-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-;3-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-2-thiophenecarboxylic acid;C11H11N5O6S2;thifensulfuron acid;3-(((((4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)AMINO)CARBONYL)AMINO)SULFONYL)-2-THIOPHENECARBOXYLIC ACID;thifensulfuron-methyl TP2;Thifensulfuron (free acid);SCHEMBL65522;DTXSID1058185;CHEBI:132053;Thifensulfuron acid (IN-L9225);AKOS015900290;C11-H11-N5-O6-S2;CS-0455837;Q27225380;3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid;3-(N-((6-methoxy-4-methyl-1,3,5-triazin-2(1H)-ylidene)carbamoyl)sulfamoyl)thiophene-2-carboxylic acid

Chemical Property of Thifensulfuron

Chemical Property:

• Refractive Index: 1.648
• PKA: 2.36±0.10(Predicted)
• PSA: 197.09000
• Density: 1.674 g/cm³
• LogP: 2.00340
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 373.01507543
• Heavy Atom Count: 24
• Complexity: 582

Purity/Quality:

99.9% ^*data from raw suppliers

3-(N-((4-Methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)sulfamoyl)thiophene-2-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O

Technology Process of Thifensulfuron

There total 3 articles about Thifensulfuron 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:

thifensulfuron methyl (79277-27-3) → C5H7N3O2 + Methyl 3-sulfamoylthiophene-2-carboxylate (59337-93-8) + 4-methoxy-6-methyl-1,3,5-triazin-2-amine (1668-54-8) + 3-sulfamoylthiophene-2-carboxylic acid (59337-97-2) + 3-((((N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-2-thiophenecarboxylic acid (79277-67-1) + methyl 3-[({[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]-2-thiophene methyl carboxylate (150258-68-7) + N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl) urea (208252-67-9) + [[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]sulfamic acid

Guidance literature:

In water; at 25 ℃; for 360h; Kinetics; Photolysis; Irradiation;

DOI:10.1016/j.jphotochem.2017.06.028

Reference yield:

thifensulfuron methyl (79277-27-3) → 3-((((N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-2-thiophenecarboxylic acid (79277-67-1)

Guidance literature:

at 29 ℃; pH=10; Further Variations:; pH-values; Kinetics;

DOI:10.1002/ps.2780400407

Reference yield:

→ 3-((((N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-2-thiophenecarboxylic acid (79277-67-1)

Guidance literature:

upstream raw materials:

thifensulfuron methyl

Refernces

• 1、 Sharma, Ashok K.,Ryan, David L.,Marr, Nina L.,Wadsley, Michael P.,Cheatham, Steve F.. "Rearrangement products in aqueous photolysis of thifensulfuron methyl". . p. 401 - 410. Retrieved 2017/06/29.
• 2、 Bastide,Badon,Cambon,Vega. "Transformation rates of ortho-substituted thiophene and benzene carboxylic esters: Application to thifensulfuron-methyl and metsulfuron-methyl herbicides". . p. 293 - 297. Retrieved 2007/10/03.