ChemSpider 2D Image | 4,5,6,7,8,9-Hexahydrocycloocta[b]thiophen-2-yl[4-(methylsulfonyl)-1-piperazinyl]methanone | C16H24N2O3S2

4,5,6,7,8,9-Hexahydrocycloocta[b]thiophen-2-yl[4-(methylsulfonyl)-1-piperazinyl]methanone

  • Molecular FormulaC16H24N2O3S2
  • Average mass356.503 Da
  • Monoisotopic mass356.122833 Da
  • ChemSpider ID21632993

More details:

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

4,5,6,7,8,9-Hexahydrocycloocta[b]thiophen-2-yl[4-(methylsulfonyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
4,5,6,7,8,9-Hexahydrocycloocta[b]thiophen-2-yl[4-(methylsulfonyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
4,5,6,7,8,9-Hexahydrocycloocta[b]thiophén-2-yl[4-(méthylsulfonyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, (4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)[4-(methylsulfonyl)-1-piperazinyl]- [ACD/Index Name]
(4,5,6,7,8,9-Hexahydro-cycloocta[b]thiophen-2-yl)-(4-methanesulfonyl-piperazin-1-yl)-methanone
1-(4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-ylcarbonyl)-4-(methylsulfonyl)piperazine
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl[4-(methylsulfonyl)piperazin-1-yl]methanone
MFCD09778095

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

Density: 1.3±0.1 g/cm3
Boiling Point: 574.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 301.3±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 93.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.71
ACD/KOC (pH 5.5): 649.95
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.71
ACD/KOC (pH 7.4): 649.95
Polar Surface Area: 94 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 267.7±5.0 cm3

Click to predict properties on the Chemicalize site


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