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Search term: MQSBKNHWSIHNGS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | MFCD27996087 | C10H19NO3S

MFCD27996087

  • Molecular FormulaC10H19NO3S
  • Average mass233.328 Da
  • Monoisotopic mass233.108566 Da
  • ChemSpider ID39530538

More details:

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

1-Azetidinecarboxylic acid, 3-(2-hydroxyethyl)-3-mercapto-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(2-hydroxyethyl)-3-sulfanyl-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(2-hydroxyethyl)-3-sulfanyl-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-(2-Hydroxyéthyl)-3-sulfanyl-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
MFCD27996087
tert-butyl 3-(2-hydroxyethyl)-3-mercaptoazetidine-1-carboxylate
1223573-24-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 332.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.6±6.0 kJ/mol
Flash Point: 154.8±23.7 °C
Index of Refraction: 1.533
Molar Refractivity: 61.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.32
ACD/KOC (pH 5.5): 82.07
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.31
ACD/KOC (pH 7.4): 81.91
Polar Surface Area: 89 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 197.9±5.0 cm3

Click to predict properties on the Chemicalize site


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