ChemSpider 2D Image | O-Hexyl (2-thienylsulfonyl)carbamothioate | C11H17NO3S3

O-Hexyl (2-thienylsulfonyl)carbamothioate

  • Molecular FormulaC11H17NO3S3
  • Average mass307.453 Da
  • Monoisotopic mass307.037048 Da
  • ChemSpider ID66463046

More details:

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

(2-Thiénylsulfonyl)carbamothioate de O-hexyle [French] [ACD/IUPAC Name]
Carbamothioic acid, N-(2-thienylsulfonyl)-, O-hexyl ester [ACD/Index Name]
O-Hexyl (2-thienylsulfonyl)carbamothioate [ACD/IUPAC Name]
O-Hexyl-(2-thienylsulfonyl)carbamothioat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 411.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 202.8±26.5 °C
Index of Refraction: 1.569
Molar Refractivity: 78.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 5.13
ACD/KOC (pH 5.5): 30.46
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 5.05
ACD/KOC (pH 7.4): 29.98
Polar Surface Area: 124 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 239.9±3.0 cm3

Click to predict properties on the Chemicalize site


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