ChemSpider 2D Image | 2-Methyl-2-propanyl 2-(4-chlorophenyl)-3-thioxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate | C18H22ClN3O2S

2-Methyl-2-propanyl 2-(4-chlorophenyl)-3-thioxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

  • Molecular FormulaC18H22ClN3O2S
  • Average mass379.904 Da
  • Monoisotopic mass379.112122 Da
  • ChemSpider ID22495259

More details:

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

1,4,8-Triazaspiro[4.5]dec-1-ene-8-carboxylic acid, 2-(4-chlorophenyl)-3-thioxo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-(4-Chlorophényl)-3-thioxo-1,4,8-triazaspiro[4.5]déc-1-ène-8-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(4-chlorophenyl)-3-thioxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(4-chlorphenyl)-3-thioxo-1,4,8-triazaspiro[4.5]dec-1-en-8-carboxylat [German] [ACD/IUPAC Name]
2-(4-Chloro-phenyl)-3-thioxo-1,4,8-triaza-spiro[4.5]dec-1-ene-8-carboxylic acid tert-butyl ester
892290-46-9 [RN]
tert-butyl 2-(4-chlorophenyl)-3-thioxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 485.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 247.7±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 102.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1166.58
ACD/KOC (pH 5.5): 5453.73
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1166.12
ACD/KOC (pH 7.4): 5451.59
Polar Surface Area: 86 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 286.9±7.0 cm3

Click to predict properties on the Chemicalize site


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