ChemSpider 2D Image | 5-{[(5-Bromo-2-thienyl)methyl]sulfanyl}-2-chlorobenzoic acid | C12H8BrClO2S2

5-{[(5-Bromo-2-thienyl)methyl]sulfanyl}-2-chlorobenzoic acid

  • Molecular FormulaC12H8BrClO2S2
  • Average mass363.678 Da
  • Monoisotopic mass361.883759 Da
  • ChemSpider ID67882146

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5-{[(5-Brom-2-thienyl)methyl]sulfanyl}-2-chlorbenzoesäure [German] [ACD/IUPAC Name]
5-{[(5-Bromo-2-thienyl)methyl]sulfanyl}-2-chlorobenzoic acid [ACD/IUPAC Name]
Acide 5-{[(5-bromo-2-thiényl)méthyl]sulfanyl}-2-chlorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[(5-bromo-2-thienyl)methyl]thio]-2-chloro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 492.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 251.7±28.7 °C
Index of Refraction: 1.719
Molar Refractivity: 81.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 6.87
ACD/KOC (pH 5.5): 23.92
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 2.39
ACD/KOC (pH 7.4): 8.33
Polar Surface Area: 91 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 205.4±5.0 cm3

Click to predict properties on the Chemicalize site


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