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53498-30-9

Basic Information
CAS No.: 53498-30-9
Name: 4,5-DIMETHYL-2-ISOPROPYL THIAZOLE
Article Data: 2
Molecular Structure:
Molecular Structure of 53498-30-9 (4,5-DIMETHYL-2-ISOPROPYL THIAZOLE)
Formula: C8H13NS
Molecular Weight: 155.264
Synonyms: 2-Isopropyl-4,5-dimethylthiazole;4,5-Dimethyl-2-isopropylthiazole;
Density: 1.003 g/cm3
Boiling Point: 209.9 °C at 760 mmHg
Flash Point: 75.9 °C
Appearance: pale yellow liquid
PSA: 41.13000
LogP: 2.88330
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Specification

The 4,5-Dimethyl-2-isopropylthiazole, with the CAS register number 53498-30-9, is also named as Thiazole,4,5-dimethyl-2-(1-methylethyl)-. Its molecular formula is C8H13NS and its molecular weight is 155.2605. Additionally, it belongs to the categories API Intermediates; Thiazole Flavor. It has the systematic name 4,5-dimethyl-2-(propan-2-yl)-1,3-thiazole.

Physical properties about 4,5-Dimethyl-2-isopropylthiazole are: (1)ACD/LogP: 2.90; (2)ACD/LogD (pH 5.5): 2.87; (3)ACD/LogD (pH 7.4): 2.9; (4)ACD/BCF (pH 5.5): 87.21; (5)ACD/BCF (pH 7.4): 94.19; (6)ACD/KOC (pH 5.5): 833.72; (7)ACD/KOC (pH 7.4): 900.49; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 41.13 Å2; (11)Index of Refraction: 1.513; (12)Molar Refractivity: 46.56 cm3; (13)Molar Volume: 154.7 cm3; (14)Polarizability: 18.45x10-24cm3; (15)Surface Tension: 34.4 dyne/cm; (16)Enthalpy of Vaporization: 42.8 kJ/mol; (17)Vapour Pressure: 0.286 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: n1c(c(sc1C(C)C)C)C
2.InChI: InChI=1/C8H13NS/c1-5(2)8-9-6(3)7(4)10-8/h5H,1-4H3
3.InChIKey: GDYKEHYOOVICQZ-UHFFFAOYAN