ChemSpider 2D Image | trans-4-{[(E)-1-Amino-2-sulfanylvinyl]carbamoyl}cyclohexanecarboxylic acid | C10H16N2O3S

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

  • Molecular FormulaC10H16N2O3S
  • Average mass244.311 Da
  • Monoisotopic mass244.088165 Da
  • ChemSpider ID35035647

  • 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}cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[(E)-1-amino-2-mercaptoethenyl]amino]carbonyl]-, trans- [ACD/Index Name]
trans-4-{[(E)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid
trans-4-{[(E)-1-Amino-2-sulfanylvinyl]carbamoyl}cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-{[(E)-1-Amino-2-sulfanylvinyl]carbamoyl}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: 507.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 85.1±6.0 kJ/mol
Flash Point: 260.9±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 62.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.43
ACD/LogD (pH 7.4): -2.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 186.4±3.0 cm3

Click to predict properties on the Chemicalize site


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