ChemSpider 2D Image | 3-{[(2,4-Dichlorobenzyl)sulfanyl]methyl}benzoic acid | C15H12Cl2O2S

3-{[(2,4-Dichlorobenzyl)sulfanyl]methyl}benzoic acid

  • Molecular FormulaC15H12Cl2O2S
  • Average mass327.226 Da
  • Monoisotopic mass325.993500 Da
  • ChemSpider ID26325221

More details:

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

3-[(2,4-Dichlorophenyl)methylsulfanylmethyl]benzoic Acid
3-{[(2,4-Dichlorbenzyl)sulfanyl]methyl}benzoesäure [German] [ACD/IUPAC Name]
3-{[(2,4-Dichlorobenzyl)sulfanyl]methyl}benzoic acid [ACD/IUPAC Name]
Acide 3-{[(2,4-dichlorobenzyl)sulfanyl]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[(2,4-dichlorophenyl)methyl]thio]methyl]- [ACD/Index Name]

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

056 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 484.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 246.7±28.7 °C
Index of Refraction: 1.649
Molar Refractivity: 85.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 587.40
ACD/KOC (pH 5.5): 1376.54
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 17.00
ACD/KOC (pH 7.4): 39.84
Polar Surface Area: 63 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 233.4±3.0 cm3

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