2-[[[[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]benzoic acid methyl ester

The IUPAC name of Metsulfuron-methyl is methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate. With the CAS registry number 74223-64-6, it is also named as 2-(((((4-Methoxy-6-methyl-1,3,5-triazin-2yl)amino)carbonyl)amino)sulfonyl)benzoic acid methyl ester; Brush-off. The product's categories are herbicide; brush controller; alphabetic; herbicides; urea structure; alpha sort; pesticides & metabolites; others chemical reagents. It is white crystalline solid. Inaddition, the solubility in organic solvents is: dichloromethane 121g / L, acetone 36g / L, methanol 7.3g / L, ethanol 2.3g / L, xylene 580mg / L.It is an ultra-high sulfonylurea herbicides and branched-chain amino acid synthesis inhibitors. And it has efficient, broad-spectrum, the  systemic characteristic. This chemical is used to control broad-leaved annual and perennial weeds in wheat field.

The other characteristics of Metsulfuron methyl can be summarized as: 
(1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.09; (4)ACD/LogD (pH 7.4): -0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.27; (8)ACD/KOC (pH 7.4): 2.02; (9)#H bond acceptors: 11; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.593; (13)Molar Refractivity: 87.82 cm³; (14)Molar Volume: 258.8 cm³; (15)Polarizability: 34.81×10^-24 cm³; (16)Surface Tension: 69.1 dyne/cm; (17)Enthalpy of Vaporization: 100.3 kJ/mol; (18)Vapour Pressure: 1.23E-17 mmHg at 25°C; (19)Rotatable Bond Count: 6; (20)Tautomer Count: 9; (21)Exact Mass: 381.074304; (22)MonoIsotopic Mass: 381.074304; (23)Topological Polar Surface Area: 158; (24)Heavy Atom Count: 26.

Preparation of Metsulfuron methyl:
 Added 2-amino-4-methoxy-6-methyl triazine 1.4g, dichloromethane 30ml and 2-sulfonyl isocyanate benzoate 2.4g to the reaction flask, stirred at room temperature for 16h. Rmoved the solvent of filtrate, the residue was ground with chlorobutane to get white crystal.

When you are using Metsulfuron methyl, please be cautious about it as the following:
It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste ans avoid release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
1. SMILES: O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(OC)n2)C;
2. InChI: InChI=1/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21).

The following are the toxicity data of Metsulfuron methyl: