ChemSpider 2D Image | (2E)-3-(1,3-Thiazol-2-ylsulfanyl)acrylic acid | C6H5NO2S2

(2E)-3-(1,3-Thiazol-2-ylsulfanyl)acrylic acid

  • Molecular FormulaC6H5NO2S2
  • Average mass187.239 Da
  • Monoisotopic mass186.976166 Da
  • ChemSpider ID71832816

More details:

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

(2E)-3-(1,3-Thiazol-2-ylsulfanyl)acrylic acid [ACD/IUPAC Name]
(2E)-3-(1,3-Thiazol-2-ylsulfanyl)acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(2-thiazolylthio)-, (2E)- [ACD/Index Name]
Acide (2E)-3-(1,3-thiazol-2-ylsulfanyl)acrylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 391.5±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 190.6±28.4 °C
Index of Refraction: 1.664
Molar Refractivity: 46.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): -2.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 75.4±5.0 dyne/cm
Molar Volume: 124.4±5.0 cm3

Click to predict properties on the Chemicalize site


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