2-ISOBUTYL-4,5-DIMETHYLTHIAZOLE

The Thiazole,4,5-dimethyl-2-(2-methylpropyl)-, with CAS registry number 53498-32-1, has the systematic name of 4,5-dimethyl-2-(2-methylpropyl)-1,3-thiazole. Its molecular formula is C₉H₁₅NS and its molecular weight is 169.2871. However, it should be sealed in the cool and dry place where the room is ventilated.

Physical properties of Thiazole,4,5-dimethyl-2-(2-methylpropyl)- are: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 225.13; (6)ACD/BCF (pH 7.4): 238.75; (7)ACD/KOC (pH 5.5): 1652.47; (8)ACD/KOC (pH 7.4): 1752.43; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.13 Å²; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 51.15 cm³; (15)Molar Volume: 170.8 cm³; (16)Polarizability: 20.27×10^-24cm³; (17)Surface Tension: 34.2 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 90.7 °C; (20)Enthalpy of Vaporization: 45.31 kJ/mol; (21)Boiling Point: 235.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0762 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritant to eyes, respiratory system and skin. When you use it, please wear suitable protective clothing, gloves and eye/face protection. If 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: n1c(c(sc1CC(C)C)C)C
(2)InChI: InChI=1/C9H15NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6H,5H2,1-4H3
(3)InChIKey: NSVPHVLZAKJSGV-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H15NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6H,5H2,1-4H3
(5)Std. InChIKey: NSVPHVLZAKJSGV-UHFFFAOYSA-N