1-(2,4,6-triisopropylbenzenesulfonyl)-1H 1,2,4-triazole (54230-60-3)

The CAS register number of 1-[[2,4,6-Tris(isopropyl)phenyl]sulphonyl]-1H-1,2,4-triazole is 54230-60-3. It also can be called as 1H-1,2,4-Triazole,1-[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]- and the IUPAC name about this chemical is 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole.

Physical properties about 1-[[2,4,6-Tris(isopropyl)phenyl]sulphonyl]-1H-1,2,4-triazole are: (1)ACD/LogP: 4.30; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 73.23Ų; (5)Index of Refraction: 1.578; (6)Molar Refractivity: 94.5 cm³; (7)Molar Volume: 284.5 cm³; (8)Polarizability: 37.46x10^-24cm³; (9)Surface Tension: 38.9 dyne/cm; (10)Enthalpy of Vaporization: 71.1 kJ/mol; (11)Boiling Point: 451.9 °C at 760 mmHg; (12)Vapour Pressure: 2.34E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-trimethylsilanyl-1H-[1,2,4]triazole and 2,4,6-triisopropyl-benzenesulfonyl chloride. This reaction will need reagent CH₂Cl₂. The reaction time is 1 hour(s) at Ambient temperature. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)n2ncnc2
(2)InChI: InChI=1/C17H25N3O2S/c1-11(2)14-7-15(12(3)4)17(16(8-14)13(5)6)23(21,22)20-10-18-9-19-20/h7-13H,1-6H3
(3)InChIKey: BKJMMUUBRUWPPQ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C17H25N3O2S/c1-11(2)14-7-15(12(3)4)17(16(8-14)13(5)6)23(21,22)20-10-18-9-19-20/h7-13H,1-6H3
(5)Std. InChIKey: BKJMMUUBRUWPPQ-UHFFFAOYSA-N