ChemSpider 2D Image | N-[(3S,4R)-4-Methyl-1,1-dioxidotetrahydro-3-thiophenyl]sulfuric diamide | C5H12N2O4S2

N-[(3S,4R)-4-Methyl-1,1-dioxidotetrahydro-3-thiophenyl]sulfuric diamide

  • Molecular FormulaC5H12N2O4S2
  • Average mass228.290 Da
  • Monoisotopic mass228.023849 Da
  • ChemSpider ID61590778

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Diamide N-[(3S,4R)-4-méthyl-1,1-dioxydotétrahydro-3-thiophényl]sulfurique [French] [ACD/IUPAC Name]
N-[(3S,4R)-4-Methyl-1,1-dioxidotetrahydro-3-thiophenyl]schwefeldiamid [German] [ACD/IUPAC Name]
N-[(3S,4R)-4-Methyl-1,1-dioxidotetrahydro-3-thiophenyl]sulfuric diamide [ACD/IUPAC Name]
Sulfamide, N-[(3S,4R)-tetrahydro-4-methyl-1,1-dioxido-3-thienyl]- [ACD/Index Name]
1841366-87-7 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 500.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.7±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 48.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.09
ACD/LogD (pH 5.5): -1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.00
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.99
Polar Surface Area: 123 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 145.6±5.0 cm3

Click to predict properties on the Chemicalize site


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