ChemSpider 2D Image | Dimethyl 3-methyl-5-({[(4-nitrobenzyl)sulfinyl]acetyl}amino)-2,4-thiophenedicarboxylate | C18H18N2O8S2

Dimethyl 3-methyl-5-({[(4-nitrobenzyl)sulfinyl]acetyl}amino)-2,4-thiophenedicarboxylate

  • Molecular FormulaC18H18N2O8S2
  • Average mass454.474 Da
  • Monoisotopic mass454.050446 Da
  • ChemSpider ID60210382

More details:

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

2,4-Thiophenedicarboxylic acid, 3-methyl-5-[[2-[[(4-nitrophenyl)methyl]sulfinyl]acetyl]amino]-, dimethyl ester [ACD/Index Name]
3-Méthyl-5-({2-[(4-nitrobenzyl)sulfinyl]acétyl}amino)-2,4-thiophènedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 3-methyl-5-({[(4-nitrobenzyl)sulfinyl]acetyl}amino)-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Dimethyl-3-methyl-5-({[(4-nitrobenzyl)sulfinyl]acetyl}amino)-2,4-thiophendicarboxylat [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: 735.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.6±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 111.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 118.62
ACD/KOC (pH 5.5): 1062.39
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 118.60
ACD/KOC (pH 7.4): 1062.23
Polar Surface Area: 192 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 71.5±3.0 dyne/cm
Molar Volume: 302.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement