Found 139 results

Search term: MF = 'C_{13}H_{12}O_{4}S_{2}'
ChemSpider 2D Image | 3-Thienylmethyl 4-(methylsulfonyl)benzoate | C13H12O4S2

3-Thienylmethyl 4-(methylsulfonyl)benzoate

  • Molecular FormulaC13H12O4S2
  • Average mass296.362 Da
  • Monoisotopic mass296.017700 Da
  • ChemSpider ID30457167

More details:

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

3-Thienylmethyl 4-(methylsulfonyl)benzoate [ACD/IUPAC Name]
3-Thienylmethyl-4-(methylsulfonyl)benzoat [German] [ACD/IUPAC Name]
4-(Méthylsulfonyl)benzoate de 3-thiénylméthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(methylsulfonyl)-, 3-thienylmethyl ester [ACD/Index Name]
(THIOPHEN-3-YL)METHYL 4-METHANESULFONYLBENZOATE
THIOPHEN-3-YLMETHYL 4-METHANESULFONYLBENZOATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 492.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 251.7±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 74.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 52.07
ACD/KOC (pH 5.5): 589.28
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 52.07
ACD/KOC (pH 7.4): 589.28
Polar Surface Area: 97 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 219.3±3.0 cm3

Click to predict properties on the Chemicalize site


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