Found 139 results

Search term: MF = 'C_{13}H_{12}O_{4}S_{2}'
ChemSpider 2D Image | 1,1-Dioxidotetrahydro-3-thiophenyl 1-benzothiophene-5-carboxylate | C13H12O4S2

1,1-Dioxidotetrahydro-3-thiophenyl 1-benzothiophene-5-carboxylate

  • Molecular FormulaC13H12O4S2
  • Average mass296.362 Da
  • Monoisotopic mass296.017700 Da
  • ChemSpider ID30123947

More details:

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

1,1-Dioxidotetrahydro-3-thiophenyl 1-benzothiophene-5-carboxylate [ACD/IUPAC Name]
1,1-Dioxidotetrahydro-3-thiophenyl-1-benzothiophen-5-carboxylat [German] [ACD/IUPAC Name]
1-Benzothiophène-5-carboxylate de 1,1-dioxydotétrahydro-3-thiophényle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-5-carboxylic acid, tetrahydro-1,1-dioxido-3-thienyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 534.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.2±27.3 °C
Index of Refraction: 1.661
Molar Refractivity: 74.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.43
ACD/KOC (pH 5.5): 663.35
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.43
ACD/KOC (pH 7.4): 663.35
Polar Surface Area: 97 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 200.9±5.0 cm3

Click to predict properties on the Chemicalize site


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