ChemSpider 2D Image | 3-{[(3,4-Dichlorophenyl)sulfanyl]methyl}-2-thiophenecarboxylic acid | C12H8Cl2O2S2

3-{[(3,4-Dichlorophenyl)sulfanyl]methyl}-2-thiophenecarboxylic acid

  • Molecular FormulaC12H8Cl2O2S2
  • Average mass319.227 Da
  • Monoisotopic mass317.934265 Da
  • ChemSpider ID48843306

More details:

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

2-Thiophenecarboxylic acid, 3-[[(3,4-dichlorophenyl)thio]methyl]- [ACD/Index Name]
3-{[(3,4-Dichlorophenyl)sulfanyl]methyl}-2-thiophenecarboxylic acid [ACD/IUPAC Name]
3-{[(3,4-Dichlorphenyl)sulfanyl]methyl}-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
Acide 3-{[(3,4-dichlorophényl)sulfanyl]méthyl}-2-thiophènecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 478.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 243.3±28.7 °C
Index of Refraction: 1.694
Molar Refractivity: 78.2±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): 3.11
ACD/BCF (pH 5.5): 43.82
ACD/KOC (pH 5.5): 135.86
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 4.02
ACD/KOC (pH 7.4): 12.47
Polar Surface Area: 91 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 203.5±5.0 cm3

Click to predict properties on the Chemicalize site


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