ChemSpider 2D Image | (4S)-2-(1,3-Benzodioxol-5-yl)-1,3-thiazolidine-4-carboxylic acid | C11H11NO4S

(4S)-2-(1,3-Benzodioxol-5-yl)-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC11H11NO4S
  • Average mass253.274 Da
  • Monoisotopic mass253.040878 Da
  • ChemSpider ID21504086

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4S)-2-(1,3-Benzodioxol-5-yl)-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(4S)-2-(1,3-Benzodioxol-5-yl)-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
(4S)-2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazolidine-4-carboxylic acid
1265908-15-3 [RN]
4-Thiazolidinecarboxylic acid, 2-(1,3-benzodioxol-5-yl)-, (4S)- [ACD/Index Name]
Acide (4S)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
(4S)-2-(1,3-dioxaindan-5-yl)-1,3-thiazolidine-4-carboxylic acid
(4S)-2-(Benzo[d][1,3]dioxol-5-yl)thiazolidine-4-carboxylic acid
4-thiazolidinecarboxylic acid, 2-(1,3-benzodioxol-5-yl), (4S)
72678-96-7 [RN]
More...

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

Density: 1.5±0.1 g/cm3
Boiling Point: 484.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 246.9±28.7 °C
Index of Refraction: 1.642
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 171.8±3.0 cm3

Click to predict properties on the Chemicalize site


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