ChemSpider 2D Image | 2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-2-oxoethyl 3-thiophenecarboxylate | C12H15NO5S2

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-2-oxoethyl 3-thiophenecarboxylate

  • Molecular FormulaC12H15NO5S2
  • Average mass317.381 Da
  • Monoisotopic mass317.039154 Da
  • ChemSpider ID26159293

More details:

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

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-2-oxoethyl 3-thiophenecarboxylate [ACD/IUPAC Name]
2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-2-oxoethyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
3-Thiophènecarboxylate de 2-[(1,1-dioxydotétrahydro-3-thiophényl)(méthyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[methyl(tetrahydro-1,1-dioxido-3-thienyl)amino]-2-oxoethyl 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: 589.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.3±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 74.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.78
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.78
Polar Surface Area: 117 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 219.7±5.0 cm3

Click to predict properties on the Chemicalize site


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