CAS No.51868-95-2,1-BENZO[B]THIOPHEN-2-YL-ETHANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51868-95-2
Name:	1-BENZO[B]THIOPHEN-2-YL-ETHANOL
Article Data:	20

Formula:	C₁₀H₁₀OS
Molecular Weight:	178.255
Synonyms:	1-(Benzo[b]thien-2-yl)ethanol;2-(1-Hydroxyethyl)benzothiophene;2-(1-Hydroxyethyl)thianaphthene;α-Methyl-2-benzo[b]thiophenemethanol;α-Methylbenzo[b]thiophene-2-methanol;
Density:	1.236 g/cm³
Melting Point:	58-58.3 °C
Boiling Point:	317.8 °C at 760 mmHg
Flash Point:	146 °C
PSA:	48.47000
LogP:	2.95460

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Specification

The 1-Benzo[b]thiophen-2-yl-ethanol, 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 its molecular is C₁₀H₁₀OS.

Other characteristics of 1-Benzo[b]thiophen-2-yl-ethanol 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.

You can still convert the following datas into 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