ChemSpider 2D Image | Methyl 5-[(1,1-dioxidotetrahydro-3-thiophenyl)(methyl)carbamoyl]-2-thiophenecarboxylate | C12H15NO5S2

Methyl 5-[(1,1-dioxidotetrahydro-3-thiophenyl)(methyl)carbamoyl]-2-thiophenecarboxylate

  • Molecular FormulaC12H15NO5S2
  • Average mass317.381 Da
  • Monoisotopic mass317.039154 Da
  • ChemSpider ID22434445

More details:

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

2-Thiophenecarboxylic acid, 5-[[methyl(tetrahydro-1,1-dioxido-3-thienyl)amino]carbonyl]-, methyl ester [ACD/Index Name]
5-[(1,1-Dioxydotétrahydro-3-thiophényl)(méthyl)carbamoyl]-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[(1,1-dioxidotetrahydro-3-thiophenyl)(methyl)carbamoyl]-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-5-[(1,1-dioxidotetrahydro-3-thiophenyl)(methyl)carbamoyl]-2-thiophencarboxylat [German] [ACD/IUPAC 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: 587.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 309.0±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 74.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.18
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.59
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.59
Polar Surface Area: 117 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 219.3±5.0 cm3

Click to predict properties on the Chemicalize site


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