1H-Pyrazole-3-carbonitrile,5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)- (181587-01-9)

The IUPAC name of Ethiprole is 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylsulfinylpyrazole-3-carbonitrile. With the CAS registry number 181587-01-9, it is also named as 1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)-. It is white powder which is a kind of insecticides. And it has high insecticidal activity to aphids, Leafhoppers, planthoppers, Lepidoptera larvae, flies and important insects of Coleoptera.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19; (6)ACD/BCF (pH 7.4): 19; (7)ACD/KOC (pH 5.5): 289; (8)ACD/KOC (pH 7.4): 289; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.655; (13)Molar Refractivity: 86.137 cm³; (14)Molar Volume: 234.875 cm³; (15)Polarizability: 34.148×10^-24 cm³; (16)Surface Tension: 57.276 dyne/cm; (17)Enthalpy of Vaporization: 84.681 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Tautomer Count: 3; (21)Exact Mass: 395.982622; (22)MonoIsotopic Mass: 395.982622; (23)Topological Polar Surface Area: 104; (24)Heavy Atom Count: 24.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. And it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.

People can use the following data to convert to the molecule structure.
1. SMILES: FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(c1N)S(=O)CC)c(Cl)c2;
2. InChI: InChI=1/C13H9Cl2F3N4OS/c1-2-24(23)11-9(5-19)21-22(12(11)20)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-4H,2,20H2,1H3.