ChemSpider 2D Image | 3-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1,1-dioxidotetrahydro-3-thiophenyl)methyl]propanamide | C16H21NO5S2

3-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1,1-dioxidotetrahydro-3-thiophenyl)methyl]propanamide

  • Molecular FormulaC16H21NO5S2
  • Average mass371.472 Da
  • Monoisotopic mass371.086121 Da
  • ChemSpider ID29603057

More details:

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

3-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1,1-dioxidotetrahydro-3-thiophenyl)methyl]propanamid [German] [ACD/IUPAC Name]
3-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1,1-dioxidotetrahydro-3-thiophenyl)methyl]propanamide [ACD/IUPAC Name]
3-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1,1-dioxydotétrahydro-3-thiophényl)méthyl]propanamide [French] [ACD/IUPAC Name]
Propanamide, 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)thio]-N-[(tetrahydro-1,1-dioxido-3-thienyl)methyl]- [ACD/Index Name]
3-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[(1,1-dioxidotetrahydro-3-thienyl)methyl]propanamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 662.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.3±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.38
ACD/KOC (pH 5.5): 116.00
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.38
ACD/KOC (pH 7.4): 116.00
Polar Surface Area: 115 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 266.4±5.0 cm3

Click to predict properties on the Chemicalize site


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