ChemSpider 2D Image | Diethyl {[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]amino}malonate | C16H18ClNO6S2

Diethyl {[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]amino}malonate

  • Molecular FormulaC16H18ClNO6S2
  • Average mass419.900 Da
  • Monoisotopic mass419.026398 Da
  • ChemSpider ID75880442

More details:

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

{[(5-Chloro-3-méthyl-1-benzothiophén-2-yl)sulfonyl]amino}malonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl {[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]amino}malonate [ACD/IUPAC Name]
Diethyl-{[(5-chlor-3-methyl-1-benzothiophen-2-yl)sulfonyl]amino}malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[[(5-chloro-3-methylbenzo[b]thien-2-yl)sulfonyl]amino]-, diethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 561.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.1±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 824.50
ACD/KOC (pH 5.5): 4251.90
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 649.18
ACD/KOC (pH 7.4): 3347.77
Polar Surface Area: 135 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 298.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement