1H-Indole,1-hydroxy-6-(methylsulfonyl)- (170492-47-4)

The 1-Hydroxy-6-methylsulfonylindole, with the CAS registry number 170492-47-4, has the systematic name of 6-(methylsulfonyl)-1H-indol-1-ol. It belongs to the product category of Indole. And the molecular formula of the chemical is C₉H₉NO₃S.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 56.68 Å²; (7)Index of Refraction: 1.639; (8)Molar Refractivity: 53.29 cm³; (9)Molar Volume: 147.9 cm³; (10)Polarizability: 21.12×10^-24cm³; (11)Surface Tension: 56.5 dyne/cm; (12)Density: 1.42 g/cm³; (13)Flash Point: 264.5 °C; (14)Enthalpy of Vaporization: 81.49 kJ/mol; (15)Boiling Point: 513.8 °C at 760 mmHg; (16)Vapour Pressure: 3.55E-11 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1ccc2c(c1)n(O)cc2)C
(2)InChI: InChI=1/C9H9NO3S/c1-14(12,13)8-3-2-7-4-5-10(11)9(7)6-8/h2-6,11H,1H3
(3)InChIKey: DSXUTUMPWBBNSD-UHFFFAOYAR