ChemSpider 2D Image | (2Z,4R)-2-(6-Oxo-1,3-benzothiazol-2(6H)-ylidene)-1,3-thiazolidine-4-carboxylic acid | C11H8N2O3S2

(2Z,4R)-2-(6-Oxo-1,3-benzothiazol-2(6H)-ylidene)-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC11H8N2O3S2
  • Average mass280.323 Da
  • Monoisotopic mass279.997620 Da
  • ChemSpider ID57571004

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2Z,4R)-2-(6-Oxo-1,3-benzothiazol-2(6H)-yliden)-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(2Z,4R)-2-(6-Oxo-1,3-benzothiazol-2(6H)-ylidene)-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 2-(6-oxo-2(6H)-benzothiazolylidene)-, (2Z,4R)- [ACD/Index Name]
Acide (2Z,4R)-2-(6-oxo-1,3-benzothiazol-2(6H)-ylidène)-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
34500-31-7 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 473.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.7±6.0 kJ/mol
Flash Point: 240.3±28.7 °C
Index of Refraction: 1.865
Molar Refractivity: 69.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 85.8±7.0 dyne/cm
Molar Volume: 154.5±7.0 cm3

Click to predict properties on the Chemicalize site


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