ChemSpider 2D Image | tert-butyl 3-carbamothioylazetidine-1-carboxylate | C9H16N2O2S

tert-butyl 3-carbamothioylazetidine-1-carboxylate

  • Molecular FormulaC9H16N2O2S
  • Average mass216.301 Da
  • Monoisotopic mass216.093246 Da
  • ChemSpider ID27802317

More details:

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

1037798-36-9 [RN]
1-Azetidinecarboxylic acid, 3-(aminothioxomethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-carbamothioyl-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-carbamothioyl-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-Carbamothioyl-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 3-carbamothioylazetidine-1-carboxylate
3-THIOCARBAMOYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
MFCD05662467

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

Density: 1.2±0.1 g/cm3
Boiling Point: 322.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 148.9±30.7 °C
Index of Refraction: 1.570
Molar Refractivity: 57.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 56.31
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.96
ACD/KOC (pH 7.4): 56.32
Polar Surface Area: 88 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 175.5±3.0 cm3

Click to predict properties on the Chemicalize site


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