ChemSpider 2D Image | Methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate | C9H15NO2S

Methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate

  • Molecular FormulaC9H15NO2S
  • Average mass201.286 Da
  • Monoisotopic mass201.082352 Da
  • ChemSpider ID32780308

More details:

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

1437311-91-5 [RN]
1-Thia-4-azaspiro[4.4]nonane-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1-Thia-4-azaspiro[4.4]nonane-3-carboxylic acid, methyl ester [ACD/Index Name]
Methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate [ACD/IUPAC Name]
Methyl-1-thia-4-azaspiro[4.4]nonan-3-carboxylat [German] [ACD/IUPAC Name]
MFCD24656401
MFCD27756504 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 320.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 147.4±26.5 °C
Index of Refraction: 1.552
Molar Refractivity: 53.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.74
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.37
ACD/KOC (pH 7.4): 102.64
Polar Surface Area: 64 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 166.3±5.0 cm3

Click to predict properties on the Chemicalize site


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