Thifensulfuron methyl

The IUPAC name of Thifensulfuron-methyl is methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate. With the CAS registry number 79277-27-3, it is also named as Pinnacle. The product's categories are HA -HTpesticides & metabolites; H-MAlphabetic; herbicides; pesticides & metabolites; urea structure. It is white crystal which is toxic. When heating it will produce toxic nitrogen oxide and sulfur oxide gas, so the storage environment should be ventilate, low-temperature and dry. Keep Thifensulfuron-methyl separate from raw materials of food.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.3; (4)ACD/LogD (pH 7.4): -0.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.4; (8)ACD/KOC (pH 7.4): 1.61; (9)#H bond acceptors: 11; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.608; (13)Molar Refractivity: 85.96 cm³; (14)Molar Volume: 248.3 cm³; (15)Polarizability: 34.08×10^-24 cm³; (16)Surface Tension: 75.1 dyne/cm; (17)Rotatable Bond Count: 6; (18)Tautomer Count: 9; (19)Exact Mass: 387.030725; (20)MonoIsotopic Mass: 387.030725; (21)Topological Polar Surface Area: 186; (22)Heavy Atom Count: 25; (23)Complexity: 597.

Preparation of Thifensulfuron-methyl: It can be obtained by the reaction of 2-carboxymethyl-3-sulfonamido thiophene and 3-methoxy-5-triazine methyl isocyanate.

Uses of Thifensulfuron-methyl: It is the branched chain amino acid synthesis inhibitor which can inhibit biosynthesis of valine, leucine and isoleucine, and prevent cell division, so stop the growth of sensitive crops. It is maily used to control the growth of broadleaves in wheat, barley, oats and corn fields.

When you are using this chemical, 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. And people should avoid release to the environment.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC)c1sccc1S(=O)(=O)NC(=O)Nc2nc(nc(OC)n2)C
2. InChI:InChI=1/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
duck	LD50	oral	> 2510mg/kg (2510mg/kg)		Pesticide Manual. Vol. 9, Pg. 814, 1991.
mouse	LD50	oral	> 5gm/kg (5000mg/kg)		Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 18, Pg. S219, 1993.
rabbit	LD50	skin	> 2gm/kg (2000mg/kg)		Farm Chemicals Handbook. Vol. -, Pg. C239, 1991.
rat	LC50	inhalation	> 7900mg/m3/4H (7900mg/m3)		Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 18, Pg. S219, 1993.
rat	LD50	oral	> 5gm/kg (5000mg/kg)		Farm Chemicals Handbook. Vol. -, Pg. C239, 1991.