ChemSpider 2D Image | 2-Thioxo(4,5,5-~2~H_3_)-1,3-thiazolidine-4-carboxylic acid | C4H2D3NO2S2

2-Thioxo(4,5,5-2H3)-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC4H2D3NO2S2
  • Average mass166.236 Da
  • Monoisotopic mass165.994995 Da
  • ChemSpider ID60497996

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Thioxo(4,5,5-2H3)-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
2-Thioxo(4,5,5-2H3)-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidine-4,5,5-d3-carboxylic acid, 2-thioxo- [ACD/Index Name]
Acide 2-thioxo(4,5,5-2H3)-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
(?)-2-Thioxothiazolidine-4,5,5-d3-4-carboxylic Acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 359.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 66.5±6.0 kJ/mol
Flash Point: 171.1±30.7 °C
Index of Refraction: 1.718
Molar Refractivity: 38.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -2.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 94.4±5.0 dyne/cm
Molar Volume: 98.8±5.0 cm3

Click to predict properties on the Chemicalize site


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