ChemSpider 2D Image | 1-[(3-Sulfanylpropanoyl)oxy]-2,5-pyrrolidinedione | C7H9NO4S

1-[(3-Sulfanylpropanoyl)oxy]-2,5-pyrrolidinedione

  • Molecular FormulaC7H9NO4S
  • Average mass203.216 Da
  • Monoisotopic mass203.025223 Da
  • ChemSpider ID28677664

More details:

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

1-[(3-Sulfanylpropanoyl)oxy]-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
1-[(3-Sulfanylpropanoyl)oxy]-2,5-pyrrolidinedione [ACD/IUPAC Name]
1-[(3-Sulfanylpropanoyl)oxy]-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
2,5-Pyrrolidinedione, 1-(3-mercapto-1-oxopropoxy)- [ACD/Index Name]
1-(3-mercapto-1-oxopropoxy)-2,5-pyrrolidinedione
1-[(3-Sulfanylpropanoyl)oxy]pyrrolidine-2,5-dione
117235-10-6 [RN]
2,5-dioxopyrrolidin-1-yl 3-sulfanylpropanoate
3-Mercaptopropanyl-N-hydroxysuccinimide ester
3-Mercaptopropionic acid NHS ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 318.4±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.0±3.0 kJ/mol
Flash Point: 146.4±28.4 °C
Index of Refraction: 1.553
Molar Refractivity: 46.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.11
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.90
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.74
Polar Surface Area: 102 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 144.6±5.0 cm3

Click to predict properties on the Chemicalize site


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