ChemSpider 2D Image | 3-(Methylthio)-2-propenal | C4H6OS

3-(Methylthio)-2-propenal

  • Molecular FormulaC4H6OS
  • Average mass102.155 Da
  • Monoisotopic mass102.013931 Da
  • ChemSpider ID103877359

More details:

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

(2E)-3-(Methylsulfanyl)acrylaldehyd [German] [ACD/IUPAC Name]
(2E)-3-(Methylsulfanyl)acrylaldehyde [ACD/IUPAC Name]
(2E)-3-(Méthylsulfanyl)acrylaldéhyde [French] [ACD/IUPAC Name]
2-Propenal, 3-(methylthio)-, (2E)- [ACD/Index Name]
3-(Methylthio)-2-propenal
82045-60-1 [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: 178.5±23.0 °C at 760 mmHg
Vapour Pressure: 1.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.5±3.0 kJ/mol
Flash Point: 74.7±8.3 °C
Index of Refraction: 1.491
Molar Refractivity: 28.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.81
ACD/KOC (pH 5.5): 53.30
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.81
ACD/KOC (pH 7.4): 53.30
Polar Surface Area: 42 Å2
Polarizability: 11.4±0.5 10-24cm3
Surface Tension: 32.8±3.0 dyne/cm
Molar Volume: 99.5±3.0 cm3

Click to predict properties on the Chemicalize site


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