ChemSpider 2D Image | 3-(1,1-Dioxido-1,2-thiazetidin-2-yl)propanenitrile | C5H8N2O2S

3-(1,1-Dioxido-1,2-thiazetidin-2-yl)propanenitrile

  • Molecular FormulaC5H8N2O2S
  • Average mass160.194 Da
  • Monoisotopic mass160.030655 Da
  • ChemSpider ID22763980

More details:

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

1,2-Thiazetidine-2-propanenitrile, 1,1-dioxide [ACD/Index Name]
3-(1,1-Dioxido-1,2-thiazetidin-2-yl)propanenitrile [ACD/IUPAC Name]
3-(1,1-Dioxido-1,2-thiazetidin-2-yl)propannitril [German] [ACD/IUPAC Name]
3-(1,1-Dioxydo-1,2-thiazétidin-2-yl)propanenitrile [French] [ACD/IUPAC Name]
3-(1,1-Dioxo-1,2-thiazetidin-2-yl)propanenitrile
3-(1,1-dioxo-1??,2-thiazetidin-2-yl)propanenitrile
3-(1,1-DIOXO-1λ(6),2-THIAZETIDIN-2-YL)PROPANENITRILE
3-(1,1-dioxo-1λ6,2-thiazetidin-2-yl)propanenitrile
3-(1,1-dioxo-1λ6,2-thiazetidin-2-yl)propanenitrile
3-(1,1-dioxo-1λ6,2-thiazetidin-2-yl)propanenitrile
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 349.1±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 164.9±28.4 °C
Index of Refraction: 1.529
Molar Refractivity: 35.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.22
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.58
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.58
Polar Surface Area: 70 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 116.1±3.0 cm3

Click to predict properties on the Chemicalize site


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