ChemSpider 2D Image | (3S,4R)-N-(2-Methoxyethyl)-4-[(2-methoxy-5-methylphenyl)sulfonyl]tetrahydro-3-thiophenamine 1,1-dioxide | C15H23NO6S2

(3S,4R)-N-(2-Methoxyethyl)-4-[(2-methoxy-5-methylphenyl)sulfonyl]tetrahydro-3-thiophenamine 1,1-dioxide

  • Molecular FormulaC15H23NO6S2
  • Average mass377.476 Da
  • Monoisotopic mass377.096680 Da
  • ChemSpider ID23399823

  • 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-méthoxyéthyl)-4-[(2-méthoxy-5-méthylphényl)sulfonyl]tétrahydro-3-thiophénamine [French] [ACD/IUPAC Name]
(3S,4R)-N-(2-Methoxyethyl)-4-[(2-methoxy-5-methylphenyl)sulfonyl]tetrahydro-3-thiophenamin-1,1-dioxid [German] [ACD/IUPAC Name]
(3S,4R)-N-(2-Methoxyethyl)-4-[(2-methoxy-5-methylphenyl)sulfonyl]tetrahydro-3-thiophenamine 1,1-dioxide [ACD/IUPAC Name]
(3S,4R)-N-(2-Methoxyethyl)-4-[(2-methoxy-5-methylphenyl)sulfonyl]tetrahydrothiophen-3-amine 1,1-dioxide
3-Thiophenamine, tetrahydro-N-(2-methoxyethyl)-4-[(2-methoxy-5-methylphenyl)sulfonyl]-, 1,1-dioxide, (3S,4R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 636.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 339.0±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 91.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.56
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.18
ACD/KOC (pH 7.4): 38.92
Polar Surface Area: 116 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 278.1±5.0 cm3

Click to predict properties on the Chemicalize site


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