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

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