Found 9 results

Search term: MF = 'C_{6}H_{6}NO_{3}S'
ChemSpider 2D Image | (2E)-2-(4-Oxo-1,3-thiazolidin-2-ylidene)propanoate | C6H6NO3S

(2E)-2-(4-Oxo-1,3-thiazolidin-2-ylidene)propanoate

  • Molecular FormulaC6H6NO3S
  • Average mass172.182 Da
  • Monoisotopic mass172.007385 Da
  • ChemSpider ID95733627

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(4-Oxo-1,3-thiazolidin-2-yliden)propanoat [German] [ACD/IUPAC Name]
(2E)-2-(4-Oxo-1,3-thiazolidin-2-ylidene)propanoate [ACD/IUPAC Name]
(2E)-2-(4-Oxo-1,3-thiazolidin-2-ylidène)propanoate [French] [ACD/IUPAC Name]
Propanoic acid, 2-(4-oxo-2-thiazolidinylidene)-, ion(1-), (2E)- [ACD/Index Name]

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

Density:
Boiling Point: 463.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.4±6.0 kJ/mol
Flash Point: 233.9±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): -3.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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