ChemSpider 2D Image | (2E)-2-Amino-3-sulfanylacrylic acid | C3H5NO2S

(2E)-2-Amino-3-sulfanylacrylic acid

  • Molecular FormulaC3H5NO2S
  • Average mass119.142 Da
  • Monoisotopic mass119.004097 Da
  • ChemSpider ID67164238
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-2-Amino-3-sulfanylacrylic acid [ACD/IUPAC Name]
(2E)-2-Amino-3-sulfanylacrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 2-amino-3-mercapto-, (2E)- [ACD/Index Name]
Acide (2E)-2-amino-3-sulfanylacrylique [French] [ACD/IUPAC Name]
2-amino-3-mercaptoacrylic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 277.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 56.7±6.0 kJ/mol
Flash Point: 121.3±27.3 °C
Index of Refraction: 1.604
Molar Refractivity: 28.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.35
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.58
ACD/LogD (pH 7.4): -2.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 11.4±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 83.8±3.0 cm3

Click to predict properties on the Chemicalize site






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