ChemSpider 2D Image | 5-Acetyl-N-[(3S,4S)-4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]-2-thiophenecarboxamide | C11H13NO5S2

5-Acetyl-N-[(3S,4S)-4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]-2-thiophenecarboxamide

  • Molecular FormulaC11H13NO5S2
  • Average mass303.355 Da
  • Monoisotopic mass303.023499 Da
  • ChemSpider ID35072419

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Thiophenecarboxamide, 5-acetyl-N-[(3S,4S)-tetrahydro-4-hydroxy-1,1-dioxido-3-thienyl]- [ACD/Index Name]
5-Acetyl-N-[(3S,4S)-4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]-2-thiophencarboxamid [German] [ACD/IUPAC Name]
5-Acetyl-N-[(3S,4S)-4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]-2-thiophenecarboxamide [ACD/IUPAC Name]
5-Acétyl-N-[(3S,4S)-4-hydroxy-1,1-dioxydotétrahydro-3-thiophényl]-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
5-acetyl-N-[trans-4-hydroxy-1,1-dioxidotetrahydro-3-thienyl]thiophene-2-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 669.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.6±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 69.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.18
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.18
Polar Surface Area: 137 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 196.1±5.0 cm3

Click to predict properties on the Chemicalize site


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