ChemSpider 2D Image | 5-Ethyltetrahydro-2-thiophenesulfonyl isothiocyanate | C7H11NO2S3

5-Ethyltetrahydro-2-thiophenesulfonyl isothiocyanate

  • Molecular FormulaC7H11NO2S3
  • Average mass237.363 Da
  • Monoisotopic mass236.995193 Da
  • ChemSpider ID109421738

More details:

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

2-Thiophenesulfonyl isothiocyanate, 5-ethyltetrahydro- [ACD/Index Name]
5-Ethyltetrahydro-2-thiophenesulfonyl isothiocyanate [ACD/IUPAC Name]
5-Ethyltetrahydro-2-thiophensulfonylisothiocyanat [German] [ACD/IUPAC Name]
Isothiocyanate de 5-éthyltétrahydro-2-thiophènesulfonyle [French] [ACD/IUPAC 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: 361.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 172.5±30.7 °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: 2.44
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.99
ACD/KOC (pH 5.5): 415.82
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.99
ACD/KOC (pH 7.4): 415.82
Polar Surface Area: 112 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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