ChemSpider 2D Image | (3E)-4-Sulfanyl-3-penten-2-one | C5H8OS

(3E)-4-Sulfanyl-3-penten-2-one

  • Molecular FormulaC5H8OS
  • Average mass116.181 Da
  • Monoisotopic mass116.029587 Da
  • ChemSpider ID24191910

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-4-Sulfanyl-3-penten-2-on [German] [ACD/IUPAC Name]
(3E)-4-Sulfanyl-3-penten-2-one [ACD/IUPAC Name]
(3E)-4-Sulfanyl-3-pentén-2-one [French] [ACD/IUPAC Name]
3-Penten-2-one, 4-mercapto-, (3E)- [ACD/Index Name]
(3E)-4-SULFANYLPENT-3-EN-2-ONE
3-Penten-2-one, 4-mercapto- (7CI,8CI,9CI)
3-PENTEN-2-ONE,4-MERCAPTO-
4394-98-3 [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: 187.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.4±3.0 kJ/mol
Flash Point: 67.3±25.1 °C
Index of Refraction: 1.483
Molar Refractivity: 33.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.70
ACD/LogD (pH 7.4): -1.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 56 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 30.3±3.0 dyne/cm
Molar Volume: 115.7±3.0 cm3

Click to predict properties on the Chemicalize site


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