ChemSpider 2D Image | 3-[(3-Bromo-4-chlorobenzyl)sulfanyl]-2-thiophenecarboxylic acid | C12H8BrClO2S2

3-[(3-Bromo-4-chlorobenzyl)sulfanyl]-2-thiophenecarboxylic acid

  • Molecular FormulaC12H8BrClO2S2
  • Average mass363.678 Da
  • Monoisotopic mass361.883759 Da
  • ChemSpider ID35034145

More details:






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

2-Thiophenecarboxylic acid, 3-[[(3-bromo-4-chlorophenyl)methyl]thio]- [ACD/Index Name]
3-[(3-Brom-4-chlorbenzyl)sulfanyl]-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
3-[(3-Bromo-4-chlorobenzyl)sulfanyl]-2-thiophenecarboxylic acid [ACD/IUPAC Name]
3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid
Acide 3-[(3-bromo-4-chlorobenzyl)sulfanyl]-2-thiophènecarboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 497.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 254.6±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: 4.63
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 31.29
ACD/KOC (pH 5.5): 99.44
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 3.57
ACD/KOC (pH 7.4): 11.35
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

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