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Basic Information
CAS No.: 15679-10-4
Name: 2-Isopropylthiazole
Molecular Structure:
Molecular Structure of 15679-10-4 (2-Isopropylthiazole)
Formula: C6H9NS
Molecular Weight: 127.21
Synonyms: Thiazole,2-isopropyl- (6CI,7CI,8CI);2-Isopropyl-1,3-thiazole;2-Isopropylthiazole;
EINECS: 239-756-3
Density: 1.04 g/cm3
Boiling Point: 153.7 °C at 760 mmHg
Flash Point: 42.6 °C
Appearance: Colorless to yellow clear liquid
PSA: 41.13000
LogP: 2.26650
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Specification

The CAS register number of Thiazole,2-(1-methylethyl)- is 15679-10-4. It also can be called as 2-Isopropylthiazole and the systematic name about this chemical is 2-(propan-2-yl)-1,3-thiazole. The molecular formula about this chemical is C6H9NS and the molecular weight is 127.20736.

Physical properties about Thiazole,2-(1-methylethyl)- are: (1)ACD/LogP: 1.98; (2)ACD/LogD (pH 5.5): 1.98; (3)ACD/LogD (pH 7.4): 1.98; (4)ACD/BCF (pH 5.5): 18.75; (5)ACD/BCF (pH 7.4): 18.84; (6)ACD/KOC (pH 5.5): 283.33; (7)ACD/KOC (pH 7.4): 284.66; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 41.13 Å2; (11)Index of Refraction: 1.516; (12)Molar Refractivity: 36.91 cm3; (13)Molar Volume: 122.2 cm3; (14)Polarizability: 14.63x10-24cm3; (15)Surface Tension: 36.1 dyne/cm; (16)Density: 1.04 g/cm3; (17)Flash Point: 42.6 °C; (18)Enthalpy of Vaporization: 37.44 kJ/mol; (19)Boiling Point: 153.7 °C at 760 mmHg; (20)Vapour Pressure: 4.23 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccsc1C(C)C
(2)InChI: InChI=1/C6H9NS/c1-5(2)6-7-3-4-8-6/h3-5H,1-2H3
(3)InChIKey: BZFIPFGRXRRZSP-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H9NS/c1-5(2)6-7-3-4-8-6/h3-5H,1-2H3
(5)Std. InChIKey: BZFIPFGRXRRZSP-UHFFFAOYSA-N