The 5-Ethenyl-2,4-dimethylthiazole with CAS registry number of 65505-18-2 belongs to the class of Thiazole Flavor. It is also called Thiazole,5-ethenyl-2,4-dimethyl-. The IUPAC name is 5-Ethenyl-2,4-dimethyl-1,3-thiazole. In addition, the formula is C7H9NS and the molecular weight is 139.2181.
Physical properties about this chemical are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 41.13 Å2; (7)Index of Refraction: 1.577; (8)Molar Refractivity: 43.3 cm3; (9)Molar Volume: 130.6 cm3; (10)Polarizability: 17.16 ×10-24cm3; (11)Surface Tension: 38.2 dyne/cm; (12)Density: 1.065 g/cm3; (13)Flash Point: 75.2 °C; (14)Enthalpy of Vaporization: 42.08 kJ/mol; (15)Boiling Point: 202.5 °C at 760 mmHg; (16)Vapour Pressure: 0.414 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c(sc1C)\C=C)C
(2)InChI: InChI=1/C7H9NS/c1-4-7-5(2)8-6(3)9-7/h4H,1H2,2-3H3
(3)InChIKey: MLBCDQHOBLVBQD-UHFFFAOYAE
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