ChemSpider 2D Image | 2-(Cyclopentylsulfanyl)-1-[3-(1-piperidinylmethyl)-1,4-thiazepan-4-yl]ethanone | C18H32N2OS2

2-(Cyclopentylsulfanyl)-1-[3-(1-piperidinylmethyl)-1,4-thiazepan-4-yl]ethanone

  • Molecular FormulaC18H32N2OS2
  • Average mass356.590 Da
  • Monoisotopic mass356.195618 Da
  • ChemSpider ID39401135

More details:

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

2-(Cyclopentylsulfanyl)-1-[3-(1-piperidinylmethyl)-1,4-thiazepan-4-yl]ethanon [German] [ACD/IUPAC Name]
2-(Cyclopentylsulfanyl)-1-[3-(1-piperidinylmethyl)-1,4-thiazepan-4-yl]ethanone [ACD/IUPAC Name]
2-(Cyclopentylsulfanyl)-1-[3-(1-pipéridinylméthyl)-1,4-thiazépan-4-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(cyclopentylthio)-1-[tetrahydro-3-(1-piperidinylmethyl)-1,4-thiazepin-4(5H)-yl]- [ACD/Index Name]
2-(cyclopentylthio)-1-(3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl)ethanone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 521.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 269.4±28.7 °C
Index of Refraction: 1.586
Molar Refractivity: 103.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.64
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 4.22
ACD/KOC (pH 7.4): 25.19
Polar Surface Area: 74 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 307.4±5.0 cm3

Click to predict properties on the Chemicalize site


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