ChemSpider 2D Image | Methyl {[5-({[(3-chloro-4-methylphenyl)sulfonyl]amino}methyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate | C13H14ClN3O5S2

Methyl {[5-({[(3-chloro-4-methylphenyl)sulfonyl]amino}methyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

  • Molecular FormulaC13H14ClN3O5S2
  • Average mass391.850 Da
  • Monoisotopic mass391.006348 Da
  • ChemSpider ID65882174

More details:

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

{[5-({[(3-Chloro-4-méthylphényl)sulfonyl]amino}méthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[[[(3-chloro-4-methylphenyl)sulfonyl]amino]methyl]-1,3,4-oxadiazol-2-yl]thio]-, methyl ester [ACD/Index Name]
Methyl {[5-({[(3-chloro-4-methylphenyl)sulfonyl]amino}methyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate [ACD/IUPAC Name]
Methyl-{[5-({[(3-chlor-4-methylphenyl)sulfonyl]amino}methyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 560.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.9±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 89.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.70
ACD/KOC (pH 5.5): 292.73
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 9.53
ACD/KOC (pH 7.4): 141.64
Polar Surface Area: 145 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 72.9±5.0 dyne/cm
Molar Volume: 254.4±5.0 cm3

Click to predict properties on the Chemicalize site


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