ChemSpider 2D Image | 3-(Hydroxymethyl)-2-thioxo-1,3-thiazolidin-4-one | C4H5NO2S2

3-(Hydroxymethyl)-2-thioxo-1,3-thiazolidin-4-one

  • Molecular FormulaC4H5NO2S2
  • Average mass163.218 Da
  • Monoisotopic mass162.976166 Da
  • ChemSpider ID61002356

More details:

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

3-(Hydroxymethyl)-2-thioxo-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
3-(Hydroxymethyl)-2-thioxo-1,3-thiazolidin-4-one [ACD/IUPAC Name]
3-(Hydroxyméthyl)-2-thioxo-1,3-thiazolidin-4-one [French] [ACD/IUPAC Name]
4-Thiazolidinone, 3-(hydroxymethyl)-2-thioxo- [ACD/Index Name]
3-hydroxymethylrhodanine
59320-80-8 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 287.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 61.1±6.0 kJ/mol
Flash Point: 127.6±27.9 °C
Index of Refraction: 1.741
Molar Refractivity: 39.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.51
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.51
Polar Surface Area: 98 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 101.7±5.0 dyne/cm
Molar Volume: 97.0±5.0 cm3

Click to predict properties on the Chemicalize site


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