Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | N/A | |
Synonyms |
5-Hydroxy-2,3,4,5-tetrahydro-benzothiepin; |
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