Sulfosulfuron

The IUPAC name of Sulfosulfuron is 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea. With the CAS registry number 141776-32-1, it is also named as Imidazo(1,2-a)pyridine-3-sulfonamide, N-(((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)-2-(ethylsulfonyl)-. Additionally, it must be sealed in the container and stored at 0-6 °C.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.64; (4)ACD/LogD (pH 7.4): 0.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.54; (8)ACD/KOC (pH 7.4): 6.54; (9)#H bond acceptors: 13; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.696; (13)Molar Refractivity: 110.44 cm³; (14)Molar Volume: 287 cm³; (15)Polarizability: 43.78×10^-24 cm³; (16)Surface Tension: 68 dyne/cm; (17)Rotatable Bond Count: 7; (18)Tautomer Count: 5; (19)Exact Mass: 470.067838; (20)MonoIsotopic Mass: 470.067838; (21)Topological Polar Surface Area: 188; (22)Heavy Atom Count: 31; (23)Complexity: 832.

When you are using this chemical, please be cautious about it as the following:
It is very toxic to aquatic organisms. And it may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste. In addition, it should be avoided release to the environment.

People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(c1nc3ccccn3c1S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)CC
2. InChI:InChI=1/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)