Benzo[b]thiophene-2-methanol,α-methyl- (51868-95-2)

The 1-Benzothiophen-2-ylethanol, with the CAS registry number 51868-95-2, has the systematic name of 1-(1-benzothiophen-2-yl)ethanol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₁₀OS.

The characteristics of 1-Benzothiophen-2-ylethanol are as followings: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.54; (4)ACD/LogD (pH 7.4): 3.54; (5)ACD/BCF (pH 5.5): 290.54; (6)ACD/BCF (pH 7.4): 290.54; (7)ACD/KOC (pH 5.5): 2017.29; (8)ACD/KOC (pH 7.4): 2017.29; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.47 Å²; (13)Index of Refraction: 1.665; (14)Molar Refractivity: 53.56 cm³; (15)Molar Volume: 144.1 cm³; (16)Polarizability: 21.23×10^-24cm³; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.236 g/cm³; (19)Flash Point: 146 °C; (20)Enthalpy of Vaporization: 59.05 kJ/mol; (21)Boiling Point: 317.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000157 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(c2sc1ccccc1c2)C
(2)InChI: InChI=1/C10H10OS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7,11H,1H3
(3)InChIKey: UEPZZRRTVYYLEX-UHFFFAOYAW