ChemSpider 2D Image | 4-[(1,1-Dioxidotetrahydro-3-thiophenyl)amino]cyclohexanecarboxylic acid | C11H19NO4S

4-[(1,1-Dioxidotetrahydro-3-thiophenyl)amino]cyclohexanecarboxylic acid

  • Molecular FormulaC11H19NO4S
  • Average mass261.338 Da
  • Monoisotopic mass261.103485 Da
  • ChemSpider ID23362526

More details:






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

4-[(1,1-Dioxidotetrahydro-3-thiophenyl)amino]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
4-[(1,1-Dioxidotetrahydro-3-thiophenyl)amino]cyclohexanecarboxylic acid [ACD/IUPAC Name]
4-[(1,1-Dioxidotetrahydrothiophen-3-yl)amino]cyclohexanecarboxylic acid
Acide 4-[(1,1-dioxydotétrahydro-3-thiophényl)amino]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[(tetrahydro-1,1-dioxido-3-thienyl)amino]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 519.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 86.7±6.0 kJ/mol
Flash Point: 268.2±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 62.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -2.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 196.8±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement