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1-Hydroxy-6-methylsulfonylindole

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Name

1-Hydroxy-6-methylsulfonylindole

EINECS N/A
CAS No. 170492-47-4 Density 1.42 g/cm3
PSA 67.68000 LogP 2.36290
Solubility N/A Melting Point 174-176 °C
Formula C9H9NO3S Boiling Point 513.8 °C at 760 mmHg
Molecular Weight 211.2377 Flash Point 264.5 °C
Transport Information N/A Appearance light yellow to light brown powder
Safety 24/25-26 Risk Codes  Xi:Irritant;
Molecular Structure Molecular Structure of 170492-47-4 (1-HYDROXY-6-(METHYLSULFONYL)INDOLE) Hazard Symbols Xi
Synonyms

1-Hydroxy-6-methylsulfonylindole;6-(Methylsulfonyl)indol-1-ol;

 

1-Hydroxy-6-methylsulfonylindole Specification

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

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