ChemSpider 2D Image | 5-Ethyl-2-thiophenesulfonyl isothiocyanate | C7H7NO2S3

5-Ethyl-2-thiophenesulfonyl isothiocyanate

  • Molecular FormulaC7H7NO2S3
  • Average mass233.331 Da
  • Monoisotopic mass232.963882 Da
  • ChemSpider ID37715870

More details:

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

2-Thiophenesulfonyl isothiocyanate, 5-ethyl- [ACD/Index Name]
5-Ethyl-2-thiophenesulfonyl isothiocyanate [ACD/IUPAC Name]
5-Ethyl-2-thiophensulfonylisothiocyanat [German] [ACD/IUPAC Name]
Isothiocyanate de 5-éthyl-2-thiophènesulfonyle [French] [ACD/IUPAC Name]
1515379-29-9 [RN]
MFCD26606878

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

Density: 1.4±0.1 g/cm3
Boiling Point: 357.2±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 57.9±3.0 kJ/mol
Flash Point: 169.8±28.4 °C
Index of Refraction: 1.652
Molar Refractivity: 60.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.01
ACD/KOC (pH 5.5): 851.08
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.01
ACD/KOC (pH 7.4): 851.08
Polar Surface Area: 115 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 164.1±7.0 cm3

Click to predict properties on the Chemicalize site


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