ChemSpider 2D Image | 3-(Methylsulfanyl)-1-(1,4-thiazepan-4-yl)-1-propanone | C9H17NOS2

3-(Methylsulfanyl)-1-(1,4-thiazepan-4-yl)-1-propanone

  • Molecular FormulaC9H17NOS2
  • Average mass219.367 Da
  • Monoisotopic mass219.075150 Da
  • ChemSpider ID77003232

More details:

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

1-Propanone, 3-(methylthio)-1-(tetrahydro-1,4-thiazepin-4(5H)-yl)- [ACD/Index Name]
3-(Methylsulfanyl)-1-(1,4-thiazepan-4-yl)-1-propanon [German] [ACD/IUPAC Name]
3-(Methylsulfanyl)-1-(1,4-thiazepan-4-yl)-1-propanone [ACD/IUPAC Name]
3-(Méthylsulfanyl)-1-(1,4-thiazépan-4-yl)-1-propanone [French] [ACD/IUPAC Name]
1864524-93-5 [RN]
3-(methylsulfanyl)-1-(1,4-thiazepan-4-yl)propan-1-one
MFCD32066673

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

Density: 1.1±0.1 g/cm3
Boiling Point: 392.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 191.4±26.5 °C
Index of Refraction: 1.548
Molar Refractivity: 61.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.19
ACD/KOC (pH 5.5): 299.10
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.19
ACD/KOC (pH 7.4): 299.10
Polar Surface Area: 71 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 193.0±3.0 cm3

Click to predict properties on the Chemicalize site


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