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ChemSpider 2D Image | 4-[(2-Acetamidoethyl)sulfanyl]-4-oxobutanoic acid | C8H13NO4S

4-[(2-Acetamidoethyl)sulfanyl]-4-oxobutanoic acid

  • Molecular FormulaC8H13NO4S
  • Average mass219.258 Da
  • Monoisotopic mass219.056534 Da
  • ChemSpider ID76594732

More details:

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

4-[(2-Acetamidoethyl)sulfanyl]-4-oxobutanoic acid [ACD/IUPAC Name]
4-[(2-Acetamidoethyl)sulfanyl]-4-oxobutansäure [German] [ACD/IUPAC Name]
4-[[2-(Acetylamino)ethyl]thio]-4-oxobutanoic acid
83686-63-9 [RN]
Acide 4-[(2-acétamidoéthyl)sulfanyl]-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-(acetylamino)ethyl]thio]-4-oxo- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 477.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 81.3±6.0 kJ/mol
Flash Point: 242.8±24.6 °C
Index of Refraction: 1.520
Molar Refractivity: 52.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.43
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.23
ACD/LogD (pH 7.4): -3.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 172.2±3.0 cm3

Click to predict properties on the Chemicalize site


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