ChemSpider 2D Image | 2,5-Dihydro-3,4-thiophenedicarboxylic acid 1-oxide | C6H6O5S

2,5-Dihydro-3,4-thiophenedicarboxylic acid 1-oxide

  • Molecular FormulaC6H6O5S
  • Average mass190.174 Da
  • Monoisotopic mass189.993591 Da
  • ChemSpider ID60747353

More details:

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

2,5-Dihydro-3,4-thiophendicarbonsäure-1-oxid [German] [ACD/IUPAC Name]
2,5-Dihydro-3,4-thiophenedicarboxylic acid 1-oxide [ACD/IUPAC Name]
3,4-Thiophenedicarboxylic acid, 2,5-dihydro-, 1-oxide [ACD/Index Name]
Acide 1-oxyde de -2,5-dihydro-3,4-thiophènedicarboxylique [French] [ACD/IUPAC Name]
20898-57-1 [RN]
MFCD20648120

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

Density: 1.9±0.1 g/cm3
Boiling Point: 580.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 94.9±6.0 kJ/mol
Flash Point: 305.0±30.1 °C
Index of Refraction: 1.695
Molar Refractivity: 39.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -5.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 118.5±5.0 dyne/cm
Molar Volume: 102.5±5.0 cm3

Click to predict properties on the Chemicalize site


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