ChemSpider 2D Image | Methyl (3S)-1,2-thiazolidine-3-carboxylate 1,1-dioxide | C5H9NO4S

Methyl (3S)-1,2-thiazolidine-3-carboxylate 1,1-dioxide

  • Molecular FormulaC5H9NO4S
  • Average mass179.194 Da
  • Monoisotopic mass179.025223 Da
  • ChemSpider ID62780852

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S) 1,1-Dioxyde de -1,2-thiazolidine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
147878-92-0 [RN]
3-Isothiazolidinecarboxylic acid, methyl ester, 1,1-dioxide, (3S)- [ACD/Index Name]
3-Isothiazolidinecarboxylic acid, methyl ester, 1,1-dioxide, (S)-
Methyl (3S)-1,2-thiazolidine-3-carboxylate 1,1-dioxide [ACD/IUPAC Name]
Methyl-(3S)-1,2-thiazolidin-3-carboxylat-1,1-dioxid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 288.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.7±3.0 kJ/mol
Flash Point: 128.0±30.1 °C
Index of Refraction: 1.493
Molar Refractivity: 37.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.53
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.20
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.15
Polar Surface Area: 81 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 128.9±3.0 cm3

Click to predict properties on the Chemicalize site


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