ChemSpider 2D Image | (E)-4-Methyl-2-[(methylthio)methyl]pent-2-enal | C8H14OS

(E)-4-Methyl-2-[(methylthio)methyl]pent-2-enal

  • Molecular FormulaC8H14OS
  • Average mass158.261 Da
  • Monoisotopic mass158.076538 Da
  • ChemSpider ID32700201

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-Methyl-2-[(methylthio)methyl]-2-pentenal
(2E)-4-Methyl-2-[(methylthio)methyl]pent-2-enal [ACD/IUPAC Name]
(E)-4-Methyl-2-[(methylthio)methyl]pent-2-enal [ACD/IUPAC Name]
2-Pentenal, 4-methyl-2-[(methylthio)methyl]-, (2E)- [ACD/Index Name]
(2E)-4-Methyl-2-[(methylsulfanyl)methyl]-2-pentenal [German] [ACD/IUPAC Name]
(2E)-4-Méthyl-2-[(méthylsulfanyl)méthyl]-2-penténal [French] [ACD/IUPAC Name]

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

1G46E74K99 [DBID]
UNII:1G46E74K99 [DBID]
UNII-1G46E74K99 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 248.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.5±3.0 kJ/mol
Flash Point: 108.8±8.3 °C
Index of Refraction: 1.481
Molar Refractivity: 47.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.52
ACD/KOC (pH 5.5): 448.19
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.52
ACD/KOC (pH 7.4): 448.19
Polar Surface Area: 42 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 30.9±3.0 dyne/cm
Molar Volume: 165.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement