Chemical Properties of 2-Bromobenzothiophene sulfone (CAS 5350-05-0)

InChI

InChI=1S/C8H5BrO2S/c9-8-5-6-3-1-2-4-7(6)12(8,10)11/h1-5H

InChI Key

GSNSVTOQAJSJSG-UHFFFAOYSA-N

Formula

C8H5BrO2S

SMILES

O=S1(=O)C(Br)=Cc2ccccc21

Molecular Weight¹

245.09

CAS

5350-05-0

Other Names

• 2-Bromothianaphthene 1,1-dioxide
• 2-Bromo-benzo(b)thiophene-1,1-dioxide
• Benzo[b]thiophene, 2-bromo-, 1,1-dioxide
• 2-Bromobenzothiophene 1,1-dioxide

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.37; 296.94]	J/mol×K	[522.64; 756.44]
Cp,gas	247.37	J/mol×K	522.64	Joback Calculated Property
Cp,gas	257.68	J/mol×K	561.61	Joback Calculated Property
Cp,gas	267.08	J/mol×K	600.57	Joback Calculated Property
Cp,gas	275.64	J/mol×K	639.54	Joback Calculated Property
Cp,gas	283.42	J/mol×K	678.50	Joback Calculated Property
Cp,gas	290.49	J/mol×K	717.47	Joback Calculated Property
Cp,gas	296.94	J/mol×K	756.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromobenzothiophene sulfone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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