ChemSpider 2D Image | 2-Methyl-2-propanyl 2-(4-chlorophenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate | C19H24ClN3O2S

2-Methyl-2-propanyl 2-(4-chlorophenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

  • Molecular FormulaC19H24ClN3O2S
  • Average mass393.931 Da
  • Monoisotopic mass393.127777 Da
  • ChemSpider ID22495258

More details:

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

1,4,8-Triazaspiro[4.5]deca-1,3-diene-8-carboxylic acid, 2-(4-chlorophenyl)-3-(methylthio)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-(4-Chlorophényl)-3-(méthylsulfanyl)-1,4,8-triazaspiro[4.5]déca-1,3-diène-8-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(4-chlorophenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(4-chlorphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-carboxylat [German] [ACD/IUPAC Name]
2-(4-Chloro-phenyl)-3-methylsulfanyl-1,4,8-triaza-spiro[4.5]deca-1,3-diene-8-carboxylic acid tert-butyl ester
931363-06-3 [RN]
tert-butyl 2-(4-chlorophenyl)-3-(methylthio)-1,4,8-triazaspiro[4.5]deca-1,3-diene-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: 506.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.3±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 107.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2426.26
ACD/KOC (pH 5.5): 8739.00
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2917.39
ACD/KOC (pH 7.4): 10507.96
Polar Surface Area: 80 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 307.9±7.0 cm3

Click to predict properties on the Chemicalize site


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