ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{[(1,1-dioxidotetrahydro-3-thiophenyl)carbamothioyl]amino}-1-piperidinecarboxylate | C15H27N3O4S2

2-Methyl-2-propanyl 4-{[(1,1-dioxidotetrahydro-3-thiophenyl)carbamothioyl]amino}-1-piperidinecarboxylate

  • Molecular FormulaC15H27N3O4S2
  • Average mass377.523 Da
  • Monoisotopic mass377.144287 Da
  • ChemSpider ID60461121

More details:

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

1-Piperidinecarboxylic acid, 4-[[[(tetrahydro-1,1-dioxido-3-thienyl)amino]thioxomethyl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[(1,1-dioxidotetrahydro-3-thiophenyl)carbamothioyl]amino}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[(1,1-dioxidotetrahydro-3-thiophenyl)carbamothioyl]amino}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{[(1,1-Dioxydotétrahydro-3-thiophényl)carbamothioyl]amino}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [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: 546.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.2±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 96.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.13
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 43.40
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 43.40
Polar Surface Area: 128 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 289.4±5.0 cm3

Click to predict properties on the Chemicalize site


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