ChemSpider 2D Image | 2-Sulfanyl-1-(1,4-thiazepan-4-yl)-1-propanone | C8H15NOS2

2-Sulfanyl-1-(1,4-thiazepan-4-yl)-1-propanone

  • Molecular FormulaC8H15NOS2
  • Average mass205.341 Da
  • Monoisotopic mass205.059509 Da
  • ChemSpider ID48232216

More details:

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

1-Propanone, 2-mercapto-1-(tetrahydro-1,4-thiazepin-4(5H)-yl)- [ACD/Index Name]
2-Sulfanyl-1-(1,4-thiazepan-4-yl)-1-propanon [German] [ACD/IUPAC Name]
2-Sulfanyl-1-(1,4-thiazepan-4-yl)-1-propanone [ACD/IUPAC Name]
2-Sulfanyl-1-(1,4-thiazépan-4-yl)-1-propanone [French] [ACD/IUPAC Name]
1692751-70-4 [RN]
MFCD28152982

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

Density: 1.2±0.1 g/cm3
Boiling Point: 359.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 171.4±26.5 °C
Index of Refraction: 1.551
Molar Refractivity: 56.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.52
ACD/KOC (pH 5.5): 174.58
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.17
ACD/KOC (pH 7.4): 168.21
Polar Surface Area: 84 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 176.9±3.0 cm3

Click to predict properties on the Chemicalize site


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