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53498-32-1

Basic Information
CAS No.: 53498-32-1
Name: 2-ISOBUTYL-4,5-DIMETHYLTHIAZOLE
Molecular Structure:
Molecular Structure of 53498-32-1 (2-ISOBUTYL-4,5-DIMETHYLTHIAZOLE)
Formula: C9H15NS
Molecular Weight: 169.2871
Synonyms: 2-Isobutyl-4,5-dimethylthiazole;4,5-Dimethyl-2-isobutylthiazole;
EINECS: 258-586-0
Density: 0.99 g/cm3
Boiling Point: 235.5 °C at 760 mmHg
Flash Point: 90.7 °C
Appearance: clear yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
PSA: 41.13000
LogP: 2.95840
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    2-ISOBUTYL-4,5-DIMETHYLTHIAZOLE Basic information Product Name: 2-ISOBUTYL-4,5-DIMETHYLTHIAZOLE Synonyms: 2-Isobutyl-4,5-dimethyl-1,3-thiazole;4,

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Specification

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