ChemSpider 2D Image | tert-Butyl 2-thia-6-azaspiro[3.3]heptane-6-carboxylate | C10H17NO2S

tert-Butyl 2-thia-6-azaspiro[3.3]heptane-6-carboxylate

  • Molecular FormulaC10H17NO2S
  • Average mass215.313 Da
  • Monoisotopic mass215.097992 Da
  • ChemSpider ID25182166

More details:






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

2-Methyl-2-propanyl 2-thia-6-azaspiro[3.3]heptane-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-thia-6-azaspiro[3.3]heptan-6-carboxylat [German] [ACD/IUPAC Name]
2-Thia-6-azaspiro[3.3]heptane-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Thia-6-azaspiro[3.3]heptane-6-carboxylic acid, 1,1-dimethylethyl ester [ACD/Index Name]
MFCD18782892 [MDL number]
tert-Butyl 2-thia-6-azaspiro[3.3]heptane-6-carboxylate
[1272412-70-0]
1272412-70-0 [RN]
127241-27-4 [RN]
3-(Oxetan-3-yl)pyrrolidine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 310.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.1±3.0 kJ/mol
Flash Point: 141.4±27.9 °C
Index of Refraction: 1.553
Molar Refractivity: 58.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.80
ACD/KOC (pH 5.5): 227.79
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.80
ACD/KOC (pH 7.4): 227.79
Polar Surface Area: 55 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 181.3±5.0 cm3

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