ChemSpider 2D Image | 3-Thioxo-L-alanine | C3H5NO2S

3-Thioxo-L-alanine

  • Molecular FormulaC3H5NO2S
  • Average mass119.142 Da
  • Monoisotopic mass119.004097 Da
  • ChemSpider ID61387727
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3-Thioxo-L-alanin [German] [ACD/IUPAC Name]
3-Thioxo-L-alanine [ACD/IUPAC Name]
3-Thioxo-L-alanine [French] [ACD/IUPAC Name]
L-Alanine, 3-thioxo- [ACD/Index Name]
1201640-31-4 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 322.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.0±6.0 kJ/mol
Flash Point: 148.6±30.7 °C
Index of Refraction: 1.611
Molar Refractivity: 28.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.11
ACD/LogD (pH 5.5): -2.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 11.3±0.5 10-24cm3
Surface Tension: 86.8±3.0 dyne/cm
Molar Volume: 81.9±3.0 cm3

Click to predict properties on the Chemicalize site






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