ChemSpider 2D Image | 4-{[4-(Cyclohexylmethoxy)phenyl]sulfonyl}-6-methyl-1,4-thiazepane 1-oxide | C19H29NO4S2

4-{[4-(Cyclohexylmethoxy)phenyl]sulfonyl}-6-methyl-1,4-thiazepane 1-oxide

  • Molecular FormulaC19H29NO4S2
  • Average mass399.568 Da
  • Monoisotopic mass399.153809 Da
  • ChemSpider ID64749965

More details:

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

1,4-Thiazepine, 4-[[4-(cyclohexylmethoxy)phenyl]sulfonyl]hexahydro-6-methyl-, 1-oxide [ACD/Index Name]
1-Oxyde de 4-{[4-(cyclohexylméthoxy)phényl]sulfonyl}-6-méthyl-1,4-thiazépane [French] [ACD/IUPAC Name]
4-{[4-(Cyclohexylmethoxy)phenyl]sulfonyl}-6-methyl-1,4-thiazepan-1-oxid [German] [ACD/IUPAC Name]
4-{[4-(Cyclohexylmethoxy)phenyl]sulfonyl}-6-methyl-1,4-thiazepane 1-oxide [ACD/IUPAC 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: 603.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.6±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 106.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 394.73
ACD/KOC (pH 5.5): 2512.09
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 394.73
ACD/KOC (pH 7.4): 2512.09
Polar Surface Area: 91 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 308.2±5.0 cm3

Click to predict properties on the Chemicalize site


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