ChemSpider 2D Image | (3S,4R)-N-[2-(1-Cyclohexen-1-yl)ethyl]-4-[(4-ethylphenyl)sulfonyl]tetrahydro-3-thiophenamine 1,1-dioxide | C20H29NO4S2

(3S,4R)-N-[2-(1-Cyclohexen-1-yl)ethyl]-4-[(4-ethylphenyl)sulfonyl]tetrahydro-3-thiophenamine 1,1-dioxide

  • Molecular FormulaC20H29NO4S2
  • Average mass411.579 Da
  • Monoisotopic mass411.153809 Da
  • ChemSpider ID23399147

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R) 1,1-Dioxyde de N-[2-(1-cyclohexén-1-yl)éthyl]-4-[(4-éthylphényl)sulfonyl]tétrahydro-3-thiophénamine [French] [ACD/IUPAC Name]
(3S,4R)-N-[2-(1-Cyclohexen-1-yl)ethyl]-4-[(4-ethylphenyl)sulfonyl]tetrahydro-3-thiophenamin-1,1-dioxid [German] [ACD/IUPAC Name]
(3S,4R)-N-[2-(1-Cyclohexen-1-yl)ethyl]-4-[(4-ethylphenyl)sulfonyl]tetrahydro-3-thiophenamine 1,1-dioxide [ACD/IUPAC Name]
(3S,4R)-N-[2-(Cyclohex-1-en-1-yl)ethyl]-4-[(4-ethylphenyl)sulfonyl]tetrahydrothiophen-3-amine 1,1-dioxide
3-Thiophenamine, N-[2-(1-cyclohexen-1-yl)ethyl]-4-[(4-ethylphenyl)sulfonyl]tetrahydro-, 1,1-dioxide, (3S,4R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 650.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.3±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 108.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 23.57
ACD/KOC (pH 5.5): 206.16
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 122.09
ACD/KOC (pH 7.4): 1067.74
Polar Surface Area: 97 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 321.7±5.0 cm3

Click to predict properties on the Chemicalize site


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