ChemSpider 2D Image | 4-[(Butylsulfanyl)methyl]-N-[(3S,4S)-4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]-5-methyl-2-furamide | C15H23NO5S2

4-[(Butylsulfanyl)methyl]-N-[(3S,4S)-4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]-5-methyl-2-furamide

  • Molecular FormulaC15H23NO5S2
  • Average mass361.477 Da
  • Monoisotopic mass361.101776 Da
  • ChemSpider ID32811883

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Furancarboxamide, 4-[(butylthio)methyl]-5-methyl-N-[(3S,4S)-tetrahydro-4-hydroxy-1,1-dioxido-3-thienyl]- [ACD/Index Name]
4-[(Butylsulfanyl)methyl]-N-[(3S,4S)-4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]-5-methyl-2-furamid [German] [ACD/IUPAC Name]
4-[(Butylsulfanyl)methyl]-N-[(3S,4S)-4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]-5-methyl-2-furamide [ACD/IUPAC Name]
4-[(Butylsulfanyl)méthyl]-N-[(3S,4S)-4-hydroxy-1,1-dioxydotétrahydro-3-thiophényl]-5-méthyl-2-furamide [French] [ACD/IUPAC Name]
4-[(butylthio)methyl]-N-[(3S*,4S*)-4-hydroxy-1,1-dioxidotetrahydro-3-thienyl]-5-methyl-2-furamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 304.1±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 90.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.05
ACD/KOC (pH 5.5): 94.68
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.05
ACD/KOC (pH 7.4): 94.68
Polar Surface Area: 130 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 269.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement