ChemSpider 2D Image | 2-Thienylmethyl (1,1-dioxidotetrahydro-3-thiophenyl)acetate | C11H14O4S2

2-Thienylmethyl (1,1-dioxidotetrahydro-3-thiophenyl)acetate

  • Molecular FormulaC11H14O4S2
  • Average mass274.357 Da
  • Monoisotopic mass274.033356 Da
  • ChemSpider ID62253973

More details:

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

(1,1-Dioxydotétrahydro-3-thiophényl)acétate de 2-thiénylméthyle [French] [ACD/IUPAC Name]
2-Thienylmethyl (1,1-dioxidotetrahydro-3-thiophenyl)acetate [ACD/IUPAC Name]
2-Thienylmethyl-(1,1-dioxidotetrahydro-3-thiophenyl)acetat [German] [ACD/IUPAC Name]
3-Thiopheneacetic acid, tetrahydro-, 2-thienylmethyl ester, 1,1-dioxide [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 458.6±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 231.1±21.8 °C
Index of Refraction: 1.563
Molar Refractivity: 65.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.36
ACD/KOC (pH 5.5): 99.87
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.36
ACD/KOC (pH 7.4): 99.87
Polar Surface Area: 97 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 203.0±3.0 cm3

Click to predict properties on the Chemicalize site


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