ChemSpider 2D Image | (2E)-3-(4-Iodophenyl)-2-sulfanylacrylic acid | C9H7IO2S

(2E)-3-(4-Iodophenyl)-2-sulfanylacrylic acid

  • Molecular FormulaC9H7IO2S
  • Average mass306.120 Da
  • Monoisotopic mass305.921143 Da
  • ChemSpider ID13949553

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Iodophenyl)-2-sulfanylacrylic acid [ACD/IUPAC Name]
(2E)-3-(4-Iodphenyl)-2-sulfanylacrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-iodophenyl)-2-mercapto-, (2E)- [ACD/Index Name]
Acide (2E)-3-(4-iodophényl)-2-sulfanylacrylique [French] [ACD/IUPAC Name]
(Z)-3-(4-Iodophenyl)-2-mercapto-2-propenoic acid
(Z)-3-(4-iodophenyl)-2-sulfanylprop-2-enoic acid
179528-45-1 [RN]
3-?(4-?IODOPHENYL)-?2Z-?MERCAPTO-?2-?PROPENOIC ACID

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

Density: 1.9±0.1 g/cm3
Boiling Point: 410.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 202.0±28.7 °C
Index of Refraction: 1.732
Molar Refractivity: 64.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 2.04
ACD/KOC (pH 5.5): 16.43
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 161.0±3.0 cm3

Click to predict properties on the Chemicalize site


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