ChemSpider 2D Image | (2E)-2-[(Methylsulfanyl)methyl]-2-butenal | C6H10OS

(2E)-2-[(Methylsulfanyl)methyl]-2-butenal

  • Molecular FormulaC6H10OS
  • Average mass130.208 Da
  • Monoisotopic mass130.045242 Da
  • ChemSpider ID30776898

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[(Methylsulfanyl)methyl]-2-butenal [German] [ACD/IUPAC Name]
(2E)-2-[(Methylsulfanyl)methyl]-2-butenal [ACD/IUPAC Name]
(2E)-2-[(Méthylsulfanyl)méthyl]-2-buténal [French] [ACD/IUPAC Name]
2-Butenal, 2-[(methylthio)methyl]-, (2E)- [ACD/Index Name]
(2E)-2-[(methylsulfanyl)methyl]but-2-enal
2-((Methylthio)methyl)-2-butenal
2-(Methylmercapto)methyl-2-butenal
2-(Methylthio)methyl-2-butenal
2-[(Methylsulfanyl)methyl]but-2-enal [ACD/IUPAC Name]
2-[(Methylthio)methyl]-2-butenal
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 224.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.1±3.0 kJ/mol
Flash Point: 100.8±8.3 °C
Index of Refraction: 1.485
Molar Refractivity: 37.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.42
ACD/KOC (pH 5.5): 186.27
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.42
ACD/KOC (pH 7.4): 186.27
Polar Surface Area: 42 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 132.3±3.0 cm3

Click to predict properties on the Chemicalize site


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