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Thiazole,4,5-dimethyl-2-(1-methylethyl)- (53498-30-9)

Identification
Name:Thiazole,4,5-dimethyl-2-(1-methylethyl)-
Synonyms:2-Isopropyl-4,5-dimethylthiazole;4,5-Dimethyl-2-isopropylthiazole;
CAS:53498-30-9
Molecular Formula: C8H13NS
Molecular Weight: 155.26
InChI: InChI=1/C8H13NS/c1-5(2)8-9-6(3)7(4)10-8/h5H,1-4H3
Molecular Structure: (C8H13NS) 2-Isopropyl-4,5-dimethylthiazole;4,5-Dimethyl-2-isopropylthiazole;
Properties
Density:1.003 g/cm3
Refractive index:1.513
Appearance:pale yellow liquid
Specification:

The 4,5-Dimethyl-2-isopropylthiazole with its cas register number is 53498-30-9. It also can be called as Thiazole,4,5-dimethyl-2-(1-methylethyl)- and the IUPAC Name about this chemical is 4,5-dimethyl-2-propan-2-yl-1,3-thiazole. It belongs to the API intermediates and thiazole Flavor.

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: 41.13Å2; (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)Canonical SMILES: CC1=C(SC(=N1)C(C)C)C
(2)InChI: InChI=1S/C8H13NS/c1-5(2)8-9-6(3)7(4)10-8/h5H,1-4H3
(3)InChIKey: GDYKEHYOOVICQZ-UHFFFAOYSA-N 

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