Thiophene,2-ethyl-5-methyl- (40323-88-4)

The 2-Ethyl-5-methylthiophene, with the CAS registry number 40323-88-4, is also called thiophene, 2-ethyl-5-methyl-. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C₇H₁₀S.

The characteristics of 2-Ethyl-5-methylthiophene are as followings: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.35; (5)ACD/BCF (pH 5.5): 206.22; (6)ACD/BCF (pH 7.4): 206.22; (7)ACD/KOC (pH 5.5): 1578.36; (8)ACD/KOC (pH 7.4): 1578.36; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.24 Å²; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 39.01 cm³; (15)Molar Volume: 128 cm³; (16)Polarizability: 15.46×10^-24cm³; (17)Surface Tension: 32 dyne/cm; (18)Density: 0.986 g/cm³; (19)Flash Point: 31.4 °C; (20)Enthalpy of Vaporization: 38.03 kJ/mol; (21)Boiling Point: 160 °C at 760 mmHg; (22)Vapour Pressure: 3.17 mmHg at 25°C.

Preparation of 2-Ethyl-5-methylthiophene: This chemical can be prepared by 2-ethyl-5-methyl-furan. The reaction will need reagent H₂S and HCl, and the menstruum acetic acid. The yield is about 73%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: s1c(ccc1CC)C
(2)InChI: InChI=1/C7H10S/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3
(3)InChIKey: VOIVNYVBGCJFRW-UHFFFAOYAP