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Benzo[b]thiophene-6-ol

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Name

Benzo[b]thiophene-6-ol

EINECS 242-950-0
CAS No. 19301-39-4 Density 1.347g/cm3
PSA 48.47000 LogP 2.60690
Solubility N/A Melting Point 102-103℃
Formula C8H6OS Boiling Point 301.6 °C at 760 mmHg
Molecular Weight 150.201 Flash Point 136.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 19301-39-4 (Benzo[b]thiophene-6-ol) Hazard Symbols N/A
Synonyms

6-Hydroxybenzo[b]thiophene;Benzo[b]thiophen-6-ol;Benzothiophen-6-ol;

Article Data 14

Benzo[b]thiophene-6-ol Specification

The Benzo[b]thiophene-6-ol, with CAS registry number 19301-39-4, has the systematic name of 1-benzothiophene-6-ol. Besides this, it is also called 6-Hydroxybenzo[b]thiophene. And the chemical formula of this chemical is C8H6OS. What's more, its EINECS is 242-950-0.

Physical properties of Benzo[b]thiophene-6-ol: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 346.05; (6)ACD/BCF (pH 7.4): 342.62; (7)ACD/KOC (pH 5.5): 2286.15; (8)ACD/KOC (pH 7.4): 2263.47; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.47 Å2; (13)Index of Refraction: 1.727; (14)Molar Refractivity: 44.36 cm3; (15)Molar Volume: 111.4 cm3; (16)Polarizability: 17.58×10-24cm3; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.347 g/cm3; (19)Flash Point: 136.2 °C; (20)Enthalpy of Vaporization: 56.34 kJ/mol; (21)Boiling Point: 301.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000585 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2ccc1c(scc1)c2
(2)InChI: InChI=1/C8H6OS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,9H
(3)InChIKey: DQUZFPKUMCZPQD-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H6OS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,9H
(5)Std. InChIKey: DQUZFPKUMCZPQD-UHFFFAOYSA-N

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