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Search term: LXSDLCXVWATQIZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-Sulfanylbutanenitrile | C4H7NS

3-Sulfanylbutanenitrile

  • Molecular FormulaC4H7NS
  • Average mass101.170 Da
  • Monoisotopic mass101.029922 Da
  • ChemSpider ID21413749

More details:

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

3-Sulfanylbutanenitrile [ACD/IUPAC Name]
3-Sulfanylbutanenitrile [French] [ACD/IUPAC Name]
3-Sulfanylbutannitril [German] [ACD/IUPAC Name]
Butanenitrile, 3-mercapto- [ACD/Index Name]
87086-62-2 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 197.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.4±3.0 kJ/mol
Flash Point: 73.2±22.6 °C
Index of Refraction: 1.466
Molar Refractivity: 28.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.96
ACD/KOC (pH 5.5): 93.17
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.93
ACD/KOC (pH 7.4): 92.46
Polar Surface Area: 63 Å2
Polarizability: 11.2±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 102.4±3.0 cm3

Click to predict properties on the Chemicalize site


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