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2,3,4,5-Tetrahydro-1-benzothiepin-5-ol

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Name

2,3,4,5-Tetrahydro-1-benzothiepin-5-ol

EINECS N/A
CAS No. 20500-27-0 Density 1.198 g/cm3
PSA 45.53000 LogP 2.60590
Solubility N/A Melting Point 70-71 °C(Solv: cyclohexane (110-82-7))
Formula C10H12OS Boiling Point 306 °C at 760 mmHg
Molecular Weight 180.2667 Flash Point 149.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 20500-27-0 (2,3,4,5-Tetrahydro-1-benzothiepin-5-ol) Hazard Symbols N/A
Synonyms

5-Hydroxy-2,3,4,5-tetrahydro-benzothiepin;

 

2,3,4,5-Tetrahydro-1-benzothiepin-5-ol Specification

The 2,3,4,5-Tetrahydro-1-benzothiepin-5-ol is an organic compound with the formula C10H12OS. The IUPAC name of this chemical is 2,3,4,5-Tetrahydro-1-benzothiepin-5-ol. The CAS registry number of this chemical is 20500-27-0. Besides, its molecular weight is 180.2667.

The physical properties of 2,3,4,5-Tetrahydro-1-benzothiepin-5-ol are: (1)ACD/LogP: 2.19; (2)#H bond acceptors: 1; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 34.53 Å2; (6)Index of Refraction: 1.619; (7)Molar Refractivity: 52.79 cm3; (8)Molar Volume: 150.4 cm3; (9)Polarizability: 20.92×10-24 cm3; (10)Surface Tension: 47.8 dyne/cm; (11)Density: 1.198 g/cm3; (12)Flash Point: 149.1 °C; (13)Enthalpy of Vaporization: 57.7 kJ/mol; (14)Boiling Point: 306 °C at 760 mmHg; (15)Vapour Pressure: 0.000346 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC1c2c(SCCC1)cccc2
(2)InChI: InChI=1/C10H12OS/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-2,4,6,9,11H,3,5,7H2
(3)InChIKey: KAFZCUFUJCWFTO-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H12OS/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-2,4,6,9,11H,3,5,7H2
(5)Std. InChIKey: KAFZCUFUJCWFTO-UHFFFAOYSA-N

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