ChemSpider 2D Image | 3-[3-(Methylsulfonyl)-1-propyn-1-yl]-2,4-thiophenedicarboxylic acid | C10H8O6S2

3-[3-(Methylsulfonyl)-1-propyn-1-yl]-2,4-thiophenedicarboxylic acid

  • Molecular FormulaC10H8O6S2
  • Average mass288.297 Da
  • Monoisotopic mass287.976227 Da
  • ChemSpider ID86903341

More details:

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

2,4-Thiophenedicarboxylic acid, 3-[3-(methylsulfonyl)-1-propyn-1-yl]- [ACD/Index Name]
3-[3-(Methylsulfonyl)-1-propin-1-yl]-2,4-thiophendicarbonsäure [German] [ACD/IUPAC Name]
3-[3-(Methylsulfonyl)-1-propyn-1-yl]-2,4-thiophenedicarboxylic acid [ACD/IUPAC Name]
Acide 3-[3-(méthylsulfonyl)-1-propyn-1-yl]-2,4-thiophènedicarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 636.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 338.7±31.5 °C
Index of Refraction: 1.661
Molar Refractivity: 62.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): -2.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 92.1±5.0 dyne/cm
Molar Volume: 170.0±5.0 cm3

Click to predict properties on the Chemicalize site


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