ChemSpider 2D Image | 4-[(Cyclohexylmethyl)sulfonyl]-1,4-thiazepane | C12H23NO2S2

4-[(Cyclohexylmethyl)sulfonyl]-1,4-thiazepane

  • Molecular FormulaC12H23NO2S2
  • Average mass277.447 Da
  • Monoisotopic mass277.117004 Da
  • ChemSpider ID64802708

More details:






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

1,4-Thiazepine, 4-[(cyclohexylmethyl)sulfonyl]hexahydro- [ACD/Index Name]
4-[(Cyclohexylmethyl)sulfonyl]-1,4-thiazepan [German] [ACD/IUPAC Name]
4-[(Cyclohexylmethyl)sulfonyl]-1,4-thiazepane [ACD/IUPAC Name]
4-[(Cyclohexylméthyl)sulfonyl]-1,4-thiazépane [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 423.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 209.8±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 74.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 120.97
ACD/KOC (pH 5.5): 1077.43
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 120.97
ACD/KOC (pH 7.4): 1077.43
Polar Surface Area: 71 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 230.2±5.0 cm3

Click to predict properties on the Chemicalize site






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