ChemSpider 2D Image | N-(1,1-Dioxidotetrahydro-3-thiophenyl)-N-[(3-nitrophenyl)sulfonyl]-beta-alanine | C13H16N2O8S2

N-(1,1-Dioxidotetrahydro-3-thiophenyl)-N-[(3-nitrophenyl)sulfonyl]-β-alanine

  • Molecular FormulaC13H16N2O8S2
  • Average mass392.405 Da
  • Monoisotopic mass392.034790 Da
  • ChemSpider ID65917876

More details:

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

N-(1,1-Dioxidotetrahydro-3-thiophenyl)-N-[(3-nitrophenyl)sulfonyl]-β-alanin [German] [ACD/IUPAC Name]
N-(1,1-Dioxidotetrahydro-3-thiophenyl)-N-[(3-nitrophenyl)sulfonyl]-β-alanine [ACD/IUPAC Name]
N-(1,1-Dioxydotétrahydro-3-thiophényl)-N-[(3-nitrophényl)sulfonyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(3-nitrophenyl)sulfonyl]-N-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 700.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 377.3±35.7 °C
Index of Refraction: 1.645
Molar Refractivity: 86.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.14
ACD/LogD (pH 7.4): -2.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 82.4±5.0 dyne/cm
Molar Volume: 238.1±5.0 cm3

Click to predict properties on the Chemicalize site


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