ChemSpider 2D Image | trans-4-({[(E)-1-Amino-2-sulfanylvinyl]carbamoyl}oxy)cyclohexanecarboxylic acid | C10H16N2O4S

trans-4-({[(E)-1-Amino-2-sulfanylvinyl]carbamoyl}oxy)cyclohexanecarboxylic acid

  • Molecular FormulaC10H16N2O4S
  • Average mass260.310 Da
  • Monoisotopic mass260.083069 Da
  • ChemSpider ID35035665

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide trans-4-({[(E)-1-amino-2-sulfanylvinyl]carbamoyl}oxy)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[[(E)-1-amino-2-mercaptoethenyl]amino]carbonyl]oxy]-, trans- [ACD/Index Name]
trans-4-({[(E)-1-amino-2-sulfanylethenyl]carbamoyl}oxy)cyclohexanecarboxylic acid
trans-4-({[(E)-1-Amino-2-sulfanylvinyl]carbamoyl}oxy)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-({[(E)-1-Amino-2-sulfanylvinyl]carbamoyl}oxy)cyclohexanecarboxylic acid [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: 432.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±6.0 kJ/mol
Flash Point: 215.2±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 64.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.22
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 193.4±5.0 cm3

Click to predict properties on the Chemicalize site


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