ChemSpider 2D Image | (2E)-3-(Methylsulfinyl)acrylic acid | C4H6O3S

(2E)-3-(Methylsulfinyl)acrylic acid

  • Molecular FormulaC4H6O3S
  • Average mass134.154 Da
  • Monoisotopic mass134.003769 Da
  • ChemSpider ID27016632

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(Methylsulfinyl)acrylic acid [ACD/IUPAC Name]
(2E)-3-(Methylsulfinyl)acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-methanesulfinylprop-2-enoic acid
(2E)-3-methanesulfinylprop-2-enoic acid, E
121949-97-1 [RN]
2-Propenoic acid, 3-(methylsulfinyl)-, (2E)- [ACD/Index Name]
Acide (2E)-3-(méthylsulfinyl)acrylique [French] [ACD/IUPAC Name]
MFCD19236817

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

Density: 1.5±0.1 g/cm3
Boiling Point: 383.3±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.4±6.0 kJ/mol
Flash Point: 185.6±25.7 °C
Index of Refraction: 1.588
Molar Refractivity: 31.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -3.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 74 Å2
Polarizability: 12.3±0.5 10-24cm3
Surface Tension: 74.5±3.0 dyne/cm
Molar Volume: 92.3±3.0 cm3

Click to predict properties on the Chemicalize site


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